GEOS–CHEM v6–02–05 User's Guide
Contact: Bob Yantosca (bmy@io.harvard.edu)


5. GEOS–CHEM run directories


5.1 User-modifiable input files stored in the run directory

Now that you have compiled the GEOS–CHEM code and have installed your 2 x 2.5 and/or 4 x 5 data directories, it is time to set up the GEOS–CHEM run directory. This is the directory where the GEOS–CHEM executable resides, along with several input files which you must edit to specify exactly what you want the model to do - how long to run, what values to report back, etc.

Typically, you will probably want to have several run directories, each of which is customized to a particular model type (GEOS–1, GEOS–STRAT, GEOS–3 or GEOS-4), a particular resolution (2 x 2.5 or 4 x 5), and specific simulation.

Keep in mind that many of the input files were "inherited" when we merged the Harvard emissions, deposition, and chemistry routines into the GEOS–CHEM model. These routines had been developed for use with the GISS–II CTM, and therefore contained many features that were not relevant to the GEOS–CHEM model. Starting with the release of GEOS–CHEM v4–33 and later versions, much of the GISS-specific code has been eliminated. Therefore, some of the switches found in input files such as inptr.ctm and input.ctm no longer serve any useful purpose. We have denoted these switches as ***OBSOLETE*** in the following documentation. At a later date we hope to be able to consolidate many of the GEOS–CHEM input files and to remove obsolete switches.

Here is an alphabetical list of the input files that must be modified in your run directory. Detailed descriptions of each file then follow.

chemga.dat File containing some aerosol parameters for SMVGEAR II.
diag.dat Defines which tracers are to be printed out for each GEOS–CHEM diagnostic.
globchem.dat

List of chemical species and reactions for SMVGEAR II, which defines the GEOS–CHEM chemical mechanism.

NOTE: This file normally should not be modified unless you are updating the chemistry mechanism.

inptr.ctm Tracer names, molecular weights, and a list of stations for the ND48 timeseries diagnostic.
input.ctm This file together with input.geos will require changes for every run you do. In this file you set switches to schedule diagnostic output. See detailed description below.
input.geos GEOS model specific input. Contains start and end time of the model run, plus on/off switches for each operation.
jv_atms.dat

Contains O3 and temperature climatologies for FAST-J photolysis.

NOTE: This file normally should not be modified unless you are updating the photolysis mechanism.

jv_spec.dat

Contains cross-section and quantum yields for FAST-J photolysis species.

NOTE: This file normally should not be modified unless you are updating the photolysis mechanism.)

mglob.dat

Setup file for SMVGEAR, containing convergence criteria and other parameters.

NOTE: This file should not normally be modified.

prodloss.dat Specifies chemical production & loss families for the ND65 diagnostic.
Planeflight.dat Specifies flight tracks for which you want to save out specific tracers, chemical species, or met field quantities.
ratj.d

Links "Harvard species" to "FAST-J" species. FAST-J photolysis species are defined in the data file jv_spec.dat, Harvard species in chem.dat.

NOTE: This file normally should not be modified unless you are updating the photolysis mechanism.

timeseries.dat Defines regions and time windows for high-resolution time series diagnostics (ND49, ND50, ND51).
tracer.dat Allows you to define "family" tracers for the SMVGEAR chemistry solver. Family tracers are tracers such as NOx and Ox which contain more than one chemical species.

These files will be discussed in more detail below.


5.2 Input files that need to be modified for every GEOS–CHEM simulation

The files described in this section must be modified for every GEOS–CHEM simulation. These files contain definitions of tracers, starting and ending times, diagnostics, and other relevant quantities. You should make it a habit of thoroughly checking these files before submitting a long GEOS–CHEM run.


5.2.1 The inptr.ctm file

Here is what a typical inptr.ctm file looks like for a GEOS–CHEM full chemistry simulation with 31 tracers. Line numbers are provided for reference.

01: ==II==CCCC==RRRR.R========== The new "inptr.ctm" (bmy, 11/20/02) ==============
02:    1  NOx     46.0          
03:    2  Ox      48.0          
04:    3  PAN    121.0          
05:    4  CO      28.0          
06:    5  ALK4    12.0
07:    6  ISOP    12.0
08:    7  HNO3    63.0
09:    8  H2O2    34.0
10:    9  ACET    12.0
11:   10  MEK     12.0
12:   11  ALD2    12.0
13:   12  RCHO    58.0
14:   13  MVK     70.0
15:   14  MACR    70.0
16:   15  PMN    147.0
17:   16  PPN    135.0
18:   17  R4N2   119.0
19:   18  PRPE    12.0
20:   19  C3H8    12.0
21:   20  CH2O    30.0
22:   21  C2H6    12.0
23:   22  N2O5   108.0
24:   23  HNO4    79.0
25:   24  MP      48.0
26:   25  DMS     62.0    
27:   26  SO2     64.0
28:   27  SO4     96.0
29:   28  MSA     96.0
30:   29  NH3     17.0
31:   30  NH4     18.0
32:   31  NIT     62.0
33:   32  BCPI    12.0
34: 33 OCPI 12.0
35: 34 BCPO 12.0
36: 35 OCPO 12.0
37: 36 DST1 29.0
38: 37 DST2 29.0
39: 38 DST3 29.0
40: 39 DST4 29.0
41: 40 SALA 36.0
42: 41 SALC 36.0 43: ---ND48 TIMESERIES STATIONS FOLLOW BELOW THIS LINE----------------------------- 44: 23 34 01 00 04 # Save surface CO at Harvard Forest 45: 00 00 00 00 00 # Ending line of timeseries stations 46: =============================================================================== 47: 48: NOTE: This file is just a stopgap measure until we can totally rewrite the way 49: in which GEOS–CHEM reads input files from disk. I got sick of the across-the- 50: page format of the old "inptr.ctm", which was hard to read and maintain. I 51: also eliminated a lot of the obsolete stuff that was historical baggage which 52: had its origins in the old GISS-II model from time immemorial. 53: 54: At some point we will combine this file with "input.geos" and "input.ctm" to 55: make one input file for GEOS–CHEM. Not sure when this will happen, hopefully 56: in 2003. 57: 58: In this file we define the tracer names and the molecular weights. Also, the 59: ND48 station diagnostics are scheduled here. 60: 61: -- Bob Yantosca 62: 20 Nov 2002

Line Description
1 Header line
2–42

Tracer number, name, and molecular weight (g/mole).

  • Tracer numbers can be 2 digits maximum and must line up within the columns denoted by II.
  • Tracer names are 4 characters maximum and must line up within the columns denoted by CCCC.
  • Tracer molecular weights must line up within the columns denoted by RRRR.R so that the decimal point falls underneath the decimal point of RRRR.R.

NOTE: the example shown here is for a 41 tracer full-chemistry simulation. If you are running a different type of GEOS–CHEM simulation, make sure your tracers are listed accordingly. The number of tracers should be the same as the NTRACE setting in the file input.ctm (see below).

43 Separator line
44

ND48 station timeseries specifications, format is `5(I5)'

  • Column 1: Longitude index (I).
    • I can range from 1–144 (2 x 2.5 grid) or from 1–72 (4 x 5 grid).

  • Column 2: Latitude index (J).
    • J can range from 1–91 (2 x 2.5 grid) or from 1–46 (4 x 5 grid).

  • Column 3: Level index (L).
    • All levels from the surface to level L will be printed.
    • For example, if you set L=20, then all levels from 1–20 will be printed at this station (which corresponds to longitude index I and latitude index J).

  • Column 4: M: Flag which denotes either transported tracers or chemical quantities:
    • To print out transported tracers, set M = 0.
    • To print out other quantities such as OH, O3, etc., set M = 1.
      (For a complete list of diagnostic quantities, please see the
      comments to diag48.f.)

  • Column 5: N: Tracer number of quantity to print out.
    • See the comments to diag48.f for a complete list of diagnostic quantities and the tracer numbers by which they are specified.

You probably don't need to worry about these unless you want to save out hourly data at a specific location on the globe (e.g. to compare with observations from CMDL sites or other monitoring stations).

46

We signal that there are no more ND48 timeseries stations by a row of double zeroes in '5(i5)' format.

47–62 Comments

NOTE: Hopefully in 2004 we will fold the information contained within input.geos into a consolidated input file. Stay tuned.


5.2.2 The input.ctm file

Here is a typical input.ctm file for a 4 x 5 full chemistry simulation. Once again, line numbers are provided for reference.

01: GLOBAL-RUN--4x5 GEOS–CTM -- standard runs (11/00)
02: T F F F F : LCONT,LSAVE,LINIT,LWINDO,LYRRD
03: F T T F F : LSTRAT,LTROP,LSRCE,LZONE,LPUFF
04: F F F F T : LSOM,LPFILT,LCONV4,LPLU,L2PM
05: T T T T T : LBIONOX,LAIRNOX,LLIGHTNOX,LSOILNOX,LFFNOX
06: T T T F F : LFOSSIL,LWOODCO,LUPBD,LBLMX,LEMBED
07:    0    0    0    0  : IEBD1,IEBD2,JEBD1,JEBD2
08: ### OBSOLETE LINE OMITTED ###
09:     6   24   30   30   60   60   60   99 READ/WRITE/DYN/CONV/SRCE/CHEM/DIAG/INST
10:    90   72   46   30   30   29    1    0 JS/IMX/JMX/LM/LTM/LCONVM/NINIT/ICASE
11: ### OBSOLETE LINE OMITTED ###
12: ### OBSOLETE LINE OMITTED ###
13: ### OBSOLETE LINE OMITTED ###
14: ### OBSOLETE LINE OMITTED ###
15: ### OBSOLETE LINE OMITTED ###
16:    41    0   72    0   46                     NTRACE,I0,IM,J0,JM
17:  1985    3    0    0 1995                     IYEAR,NSRCX,IIII1,IIII2,FSCALYR
18:     1    7  250    3   18                     LDIFF1,LDIFFM,KDIFFU,NSTRTC,NSKIPL
19: -----123456789.123456789.123456789.1---1=ZERO + 2=BPCH + 4=PNCH
20: JAN--3000000000000000000000000000000
21: FEB--30000000000000000000000000000  
22: MAR--3000000000000000000000000000000
23: APR--300000000000000000000000000000
24: MAY--3000000000000000000000000000000
25: JUN--300000000000000000000000000000
26: JUL--3000000000000000000000000000000
27: AUG--3000000000000000000000000000000
28: SEP--300000000000000000000000000000
29: OCT--3000000000000000000000000000000
30: NOV--300000000000000000000000000000
31: DEC--3000000000000000000000000000000
32: -----  1  2  3  4  5  6  7  8  9 10
33: ND-01  0  0  0  0 30  0  0  0  0  0
34: ND-11  0  0 30  0  0  0  0  0  0  0  
35: ND-21  0  0  1  0  0  0  0  1  0  0 
36: ND-31  1  1  0  1  0  1  0 30 30  0 
37: ND-41  0  0 20  1 30  1  0  0  0  0 
38: ND-51  0  0  0  0  0  0  0  0  0  0 
39: ND-61  0  0  0  0  0  0  1  0  0  0
40: ### OBSOLETE LINE OMITTED ###
41: ### OBSOLETE LINE OMITTED ###
42: ### OBSOLETE LINE OMITTED ###
43: ### OBSOLETE LINE OMITTED ###

Line Description
1 Header line
2–6

Logical Flags (T=on, F=off)

  • LCONT     : *** OBSOLETE ***
  • LSAVE     : *** OBSOLETE ***
  • LINIT     : *** OBSOLETE ***
  • LWINDO    : *** OBSOLETE ***
  • LYRRD     : *** OBSOLETE ***
  • LSTRAT    : *** OBSOLETE ***
  • LTROP     : *** OBSOLETE ***
  • LSRCE     : *** OBSOLETE ***
  • LZONE     : *** OBSOLETE ***
  • LPUFF     : *** OBSOLETE ***
  • LSOM      : *** OBSOLETE ***
  • LPFILT    : *** OBSOLETE ***
  • LCONV4    : *** OBSOLETE ***
  • LPLU      : *** OBSOLETE ***
  • L2PM      : *** OBSOLETE ***
  • LBIONOX   : Turn on biomass burning emissions
  • LAIRNOX   : Turn on aircraft NOx emissions
  • LLIGHTNOX : Turn on lightning NOx emissions
  • LSOILNOX  : Turn on soil NOx emissions
  • LFFNOX    : Turn on fossil fuel NOx, Ox emissions
  • LFOSSIL   : Turn on all fossil fuel emissions
  • LWOODCO   : Turn on CO emissions from wood burning
  • LUPBD     : Turn on O3, NOy strat fluxes
  • LBLMX     : *** OBSOLETE ***
  • LEMBED    : Turn embedded chemistry on/off

NOTE: The "embedded chemistry" option allows you to do chemistry in a smaller "window" region of the globe. This option is most likely to be used with the 2 x 2.5 grid, in order to restrict chemistry to the Northern Hemisphere, to gain computational advantage.

7

Embedded Chemistry Region Settings:

  • IEBD1 : Lon index of lower left corner of embedded chemistry region
  • JEBD1 : Lat index of lower left corner of embedded chemistry region
  • IEBD2 : Lon index of upper right corner of embedded chemistry region
  • JEBD2 : Lat index of upper right corner of embedded chemistry region
8

*** OBSOLETE ***

9

Specify timesteps for various operations:

  • READ  : *** OBSOLETE ***
  • WRITE : *** OBSOLETE ***
  • DYN   : dynamics timestep [min]
  • CONV  : convection timestep [min]
  • SRCE  : emissions timestep [min]
  • CHEM  : chemistry timestep [min]
  • DIAG  : diagnostic timestep [min]
  • INST  : *** OBSOLETE ***

NOTES:

  • The dynamic timestep should be either 30 min (4 x 5) or 15 min (2 x 2.5).

  • The convection timestep is usually the same as the dynamic timestep.

  • For full chemistry with SMVGEAR, the emissions & chemistry timestep should be 60 minutes (since chemistry is very computationally expensive).

  • For other simulations (e.g Radon) with quick chemistry solvers, the chemistry timestep can be set equal to the dynamic timestep.

  • The diagnostic timestep should be left at 60 minutes. This is only used for ND48 timeseries output.
10–15 *** OBSOLETE ***
16 Line 16: Number of tracers and CTM window settings:
  • NTRACE : number of active tracers
  • I0     : I index offset for a window run
  • IM     : I max for window
  • J0     : J index offset for a window run
  • JM     : J max for window

NOTES:

  • NTRACE must be the same as the number of tracers listed in input.ctm

  • For a global run, set I0=0, J0=0,  IM=IIPAR,  JM=JJPAR, where IIPAR and JJPAR are the size parameters of the GEOS–CHEM grid from header file CMN_SIZE.
17

More CTM variables:

  • IYEAR   : Always set to 1985.
  • NSRCX   : Chemistry simulation selector
  • IIII1   : *** OBSOLETE ***
  • IIII2   : *** OBSOLETE ***
  • FSCALYR : Year for fossil fuel emissions scaling

Set NSRCX to one of the following values to select a specific type of chemistry simulation:

  1. Rn-Pb-Be
  2. CH3I
  3. Coupled full chemistry simulation (w/ sulfate tracers)
  4. HCN
  5. CO with parameterized OH
  6. Tagged Ox
  7. Tagged CO
  8. Tagged C2H6
  9. CH4
  10. Offline sulfate simulation
18 *** OBSOLETE ***
19–31

Scheduling diagnostic output from GEOS–CHEM:

Each day of the year is listed here. To schedule diagnostic output from the model on a particular day, place a 3 in the appropriate column.

If you place a 3 only on the first day of each month, then the diagnostic quantities will be monthly mean values. If you place a 3 on every day of the year, you will get daily averaged values.

32–39

Diagnostics table.

ND = Number of Diagnostic. Add the column number to the row number for the diagnostic number (there are 70). In each slot place the maximum level for which you want output. Note that some diagnostics are surface diagnostics, so you only need to place a 1 in the proper slot. Other diagnostics are 3-D diagnostics; you can specify the highest level that you want to print out. For example, if you place a 1 in any slot, it will only save out the surface level. If on the other hand you place a 30 in the slot, it will save out 30 levels.

A quick description of GEOS–CHEM diagnostics is provided below. You can find a further description of GEOS–CHEM diagnostics in Appendix 5.

Frequently Used Diagnostics: 
ND01 : Rn-Pb-Be sources 
ND02 : Rn-Pb-Be decay
ND05 : Prod/loss of sulfur/nitrogen species
ND06 : Emissions of Desert Dust aerosols ND07 : Emissions of Black Carbon & Organic Carbon aerosols ND08 : Emissions of Sea Salt aerosols ND11 : Acetone sources/sinks ND13 : Emissions of sulfur/nitrogen species ND14 : Mass flux from cloud conv ND15 : Mass flux from BL mixing ND16 : Precip fraction ND17 : Rainout fraction ND18 : Washout fraction ND20 : Save P(O3) and L(O3) rates ND21 : Optical depths ND22 : J-values diagnostics ND23 : CH3CCL3 lifetime ND24 : E-W transport mass fluxes ND25 : N-S transport mass fluxes ND26 : Vertical transport mass fluxes ND27 : X-trop fluxes: NOx,Ox,HNO3 ND28 : Biomass burning emissions ND29 : CO sources ND30 : Land map ND31 : Surface pressure ND32 : NOx emissions ND34 : Biofuel burning emissions ND36 : Anthropogenic emissions ND37 : Wet scavenging fraction ND38 : Tracer lost to wet scavenging ND39 : Tracer lost to wet deposition ND40 : Follow a plane flight track ND41 : Afternoon PBL height ND43 : Chemical prod: OH,NO,HO2,NO2,NO3 ND44 : Drydep fluxes and velocities ND45 : Tracer concentration ND46 : Biogenic emissions ND47 : 24-h avg concentrations ND48 : Station timeseries ND49 : Instantaneous 3-D timeseries ND50 : 24-h avg 3-D timeseries ND51 : Afternoon avg 3-D timeseries ND52 : Column timeseries (esp. for ICARTT) ND55 : Tropopause heights ND65 : Family prod/loss diagnostic ND66 : DAO 3-D met fields (UWND, VWND, TMPU, etc...) ND67 : DAO 2-D met fields (HFLUX, PBL, etc...) ND68 : Grid box heights, air mass, air density ND69 : Grid box surface areas ND70 : Print debug input to stdout
40–43 *** OBSOLETE ***

NOTE: Hopefully in 2004 we will fold the information contained within input.ctm into a consolidated input file. Stay tuned.


5.2.3 The input.geos file

Here is a typical input.geos file for a GEOS–3 4 x 5 full chemistry simulation. Line numbers are for reference and are not part of the file.

01: TIMING VARIABLES--4 x 5 RUN------+-------+-------+---------+-------+--------+
02:  010701 000000 010801 000000     |NYMDb  |NHMSb  |NYMDe    |NHMSe  |        |
03:   21600   1800 000000            |NDT    |NTDT   |NDIAGTIME|       |        |
04: GEOS-CHEM FLAGS------------------+-------+-------+---------+-------+--------+
05: T T T T F |LEMIS |LDRYD |LCHEM |LTRAN |LTPFV |
06: T T T F T |LTURB |LCONV |LWETD |LDBUG |LMONOT |
07: T T T T F |LWAIT |LBBSEA |LUNZIP |LSVGLB |LTOMSAI |
08: F T F T T |LMFCT |LFILL |LSTDRUN |LDEAD |LSHIPSO2|
09: T T T T F |LSULF |LCARB |LDUST |LSSALT |LATEQ | 10: OTHER GEOS–CHEM PARAMETERS-------+-------+-------+---------+-------+--------+ 11: 1.0 1.0 |ALPHA_d|ALPHA_n| | | | 12: 200.0 0.0 |Umax |PSTP | | | | 13: 3 3 7 |IORD |JORD |KORD | | | 14: 2 0 0 |J1 |IGD |KS | | | 15: 2 PM, J-VALUE, NO, OH INTERVALS--+-------+-------+---------+-------+--------+ 16: 10.0 14.0 |NO-HR1 |NO-HR2 |(for NO diagnostic) | 17: 11.0 13.0 |JV-HR1 |JV-HR2 |(for J-Value diagnostic) | 18: 0.0 24.0 |OH-HR1 |OH-HR2 |(for OH diagnostic) | 19: 0.0 24.0 |OTH-HR1|OTH-HR2|(for Other diagnostics) | 20: COMMAND STRINGS------------------+-------+-------+--------------------------+ 21: & | BACKGROUND (' &' for Unix environment ) | 22: > | REDIRECT (' >' for Unix environment ) | 23: rm -f | REMOVE_CMD ('rm' for Unix environment ) | 24: / | SEPARATOR ('/' for Unix environment ) | 25: | SPACE (' ' for Unix environment ) | 26: gzcat | UNZIP_CMD ('gzcat' or 'zcat' for Unix) | 27: * | WILD_CARD ('*' for Unix environment ) | 28: FILE SUFFIXES--------------------+------------------------------------------+ 29: .a3 | A3_SUFFIX (for DAO A-3 fields file ) | 30: .a6 | A6_SUFFIX (for DAO A-6 fields file ) | 31: .i6 | I6_SUFFIX (for DAO I-6 fields file ) | 32: .phis | PH_SUFFIX (for DAO PHIS fields file ) | 33: .kzz | KZZ_SUFFIX (for DAO KZZ fields file ) | 34: .4x5 | GRID_SUFFIX (either '.2x25' or '.4x5' ) | 35: .gz | ZIP_SUFFIX (either '.gz' or '.Z' ) | 36: DATA DIRECTORIES-----------------+------------------------------------------+ 37: /data/ctm/GEOS_4x5/ | DATA_DIR (top level data directory ) | 38: GEOS_1/YYYY/MM/ | GEOS_1_DIR (subdir for GEOS–1 data) | 39: GEOS_S/YYYY/MM/ | GEOS_S_DIR (subdir for GEOS–STRAT data) | 40: GEOS_3/YYYY/MM/ | GEOS_3_DIR (subdir for GEOS–3 data) | 41: GEOS_4_v3/YYYY/MM/ | GEOS_4_DIR (subdir for GEOS–4 data) | 42: /users/ctm/bmy/TEMP/T1/ | TEMP_DIR (dir for temp storage ) | 43: +------------------------------------------+

Line Description
1

Lines 1-3: GEOS–CHEM timing variables:

  • NYMDb     : Beginning YYMMDD
  • NHMSb     : Beginning HHMMSS
  • NYMDe     : Ending YYMMDD
  • NHMSe     : Ending HHMMSS
  • NDT       : 21600 sec.
  • NTDT      : Dynamic timestep
  • NDIAGTIME : HHMMSS to print diagnostic output

NOTES:

  • To specify NYMDb, NYMDe for years prior to 1999, use e.g. 990101.

  • To specify NYMDb, NYMDe for the year 2000 and after, use e.g. 010101.

  • The dynamic timestep NTDT should be either 1800 sec (4 x 5) or 900 sec (2 x 2.5).

  • Normally, NDIAGTIME is set to the same value as NHMSe. This specifies the time of the day for which to print diagnostic output.
4–9

GEOS–CHEM flags (T=on, F=off):

  • LEMIS   : Emissions
  • LDRYD   : Dry Deposition
  • LCHEM   : Chemistry
  • LTRAN   : Transport
  • LTPFV   : Use new fvDAS TPCORE for GEOS–3 instead of TPCORE v7.1.m
  • LTURB   : Boundary Layer Mixing
  • LCONV   : Cloud Convection and Scavenging
  • LWETD   : Large Scale Wet Deposition
  • LDBUG   : *** OBSOLETE ***
  • LMONOT  : Scale acetone source from monoterpenes
  • LWAIT   : Wait for met fields to be unzipped
  • LBBSEA  : Use seasonal biomass burning
  • LUNZIP  : Unzip met field files on-the-fly
  • LSVGLB  : Save a restart file at end of run
  • LTOMSAI : Scales seasonal biomass to TOMS AI
  • LMFCT   : TPCORE flux-corrected transport.
  • LFILL   : TPCORE filling flag
  • LSTDRUN : Save masses at beginning/end of run
  • LDEAD   : Uses DEAD dust mobilization (from Zender)
  • LSPLIT  : Splits CO emissions into global regions.
  • LSULF   : Use sulfate aerosols (DMS,SO2,SO4,MSA,NH3,NH4,NIT)
  • LCARB   : Use carbon aerosols (BCPI,BCPO,OCPI,OCPO)
  • LDUST   : Use desert dust aerosols (DST1,DST2,DST3,DST4)
  • LSSALT  : Use seasalt aerosols (SALA,SALC)
  • LATEQ   : For future expansion

NOTES:

  • For some quick chemistry simulations, GEOS–CHEM will iterate faster than the met fields can be unzipped. To cause GEOS–CHEM to wait for met fields to be unzipped before proceeding, set LWAIT=T.

  • See the comments to biomass_mod.f for an explanation of the seasonal and interannual biomass burning options. These are selected with flags LBBSEA and LTOMSAI. Also, one can scale the seasonal biomass burning emissions using the TOMS aerosol index product if so desired.

  • Recommended values for TPCORE flags: LMFCT= F, LFILL=T.

  • For benchmark runs set LSTDRUN=T. This will save the initial and final masses of Ox (for full-chemistry benchmarks) or Rn, Pb, and Be (for radionuclide benchmarks).

  • If you are running GEOS–CHEM with GEOS–3 winds, you have the option of either using the new GEOS–4 version of TPCORE, or the current version (v7.1.m). Setting LTPFV=T will select the new GEOS–4/fvDAS TPCORE. This is useful when you want to test the difference between the two transport schemes. NOTE: If you are running GEOS–CHEM with GEOS–1 or GEOS–STRAT winds, LTPFV will automatically be set to FALSE. If you are running GEOS–CHEM with GEOS–4/fvDAS winds, then LTPFV will be automatically set to TRUE, since these winds are incompatible with TPCORE v7.1.

10–14

Other GEOS–CHEM PARAMETERS

  • ALPHA_d : Fraction for daytime PBL mixing
  • ALPHA_a : Fraction for nighttime PBL mixing
  • Umax    : Max wind speed for TPCORE [m/s]
  • PSTP    : *** OBSOLETE ***
  • IORD    : TPCORE E/W advection method
  • JORD    : TPCORE N/S advection method
  • KORD    : TPCORE vertical advection method
  • J1      : *** OBSOLETE ***
  • IGD     : TPCORE A-Grid (0) or C-Grid (1)
  • KS      : Number of pressure-levels for TPCORE

NOTES:

  • ALPHA_d and ALPHA_n should both be set to 1.0. We assume 100% mixing happens underneath the PBL top.

  • A typical value for Umax is 200.0 m/s.

  • Recommended values for TPCORE advection options are IORD=3, JORD=3, and KORD=5 or KORD=7. See the comments to tpcore_mod.f for more information.

  • IGD should always be set to zero. GEOS–CHEM wind fields are on the A-grid (i.e. winds defined at the grid box centers).

  • KS should also be set to zero. GEOS–1, GEOS–STRAT, and GEOS–3 grids are pure-sigma grids. (GEOS–4 uses a different version of TPCORE.)
15–19

Lines 15–19: 2 PM, J-Value, NO, OH Intervals:

NO-HR1  : Beginning and end of local time
NO-HR2  :  interval for averaging NO values


JV-HR1  : Beginning and end of local time
JV-HR2  :  interval for averaging J-values


OH-HR1  : Beginning and end of local time interval
OH-HR2  :  for averaging OH, NO2, NO3 values
           
OTH-HR1 : Beginning and end of local time interval
OTH-HR2 :  for the ND45 tracer conc. diagnostic 

NOTES:

  • NO is usually averaged in the afternoon, between 10AM and 2PM local time. You can change the NO-HR1 and NO-HR2 settings if necessary.

  • J-values are usually averaged for noontime (between 11 AM and 1 PM local time). This facilitates comparison with noontime J-value observations at surface sites.

  • OH, HO2, NO2, and NO3 are usually reported as 24-hour averages. To change this, modify the OH-HR1 and OH-HR2 settings accordingly.

  • The OTH-HR1 and OTH-HR2 settings allow you to determine the time period over which the ND45 concentration diagnostic is averaged. The default is to provide 24-hr averages. This setting rarely needs to be changed
20–27

Unix command strings. You shouldn't have to change these.

30–37

File Suffixes. These define the notations used to reference the A-3, A-6, and I-6 met fields. These should not have to be changed.

NOTES:

  • Also you may select the file suffix (this is usually .gz) since met field files can be compressed using the GZIP utility. If for some reason we ever use a different compression utility, the proper file suffix can be supplied here.

  • Starting in GEOS–CHEM v6–02–05, you have the option of reading uncompressed met fields directly from the data directory. To read uncompressed met fields, make sure that LUNZIP is set to F.

  • GRID_SUFFIX is now obsolete, GEOS–CHEM will supply the correct resolution string (e.g. 4x5 or 2x25) automatically
36–42

GEOS–CHEM data and met-field directories:

  • DATA_DIR   : Name of top-level data directory
  • GEOS_1_DIR : Name of GEOS–1 met field subdirectory
  • GEOS_S_DIR : Name of GEOS–STRAT met field subdirectory
  • GEOS_3_DIR : Name of GEOS–3 met field subdirectory
  • GEOS_4_DIR : Name of GEOS–4 met field subdirectory
  • TEMP_DIR   : Name of temporary directory

Note that:

  • For the 4 x 5 grid, DATA_DIR should be set to /data/ctm/GEOS_4x5. Non-Harvard users who do not use this convention may specify their own root directory here.

  • For the 2 x 2.5 grid, DATA_DIR should be set to /data/ctm/GEOS_2x2.5. Non-Harvard users who do not use this convention may specify their own root directory here.

  • TEMP_DIR should be set to the name of a temporary directory in the user's space. GEOS–CHEM will unzip the met fields into this temporary directory and then delete them after they have been read from disk.

  • Make sure that all directories end in a slash (/).

You must also specify the location of the meterological field data files. These are usually located in subdirectories of the data directory. Directory paths for met field data files will typcially take one or two forms.( For purpose of illustration, we will look at the met field data directories for January 2001, but it is understood that other months follow this same pattern.)

First form:

/data/ctm/GEOS_2x2.5/GEOS_1/200101/
/data/ctm/GEOS_2x2.5/GEOS_S/200101/
/data/ctm/GEOS_2x2.5/GEOS_3/200101/
/data/ctm/GEOS_2x2.5/GEOS_4/200101/

/data/ctm/GEOS_4x5/GEOS_1/200101/
/data/ctm/GEOS_4x5/GEOS_S/200101/
/data/ctm/GEOS_4x5/GEOS_3/200101/
/data/ctm/GEOS_4x5/GEOS_4/200101/

Second Form:

/data/ctm/GEOS_2x2.5/GEOS_1/2001/01/
/data/ctm/GEOS_2x2.5/GEOS_S/2001/01/
/data/ctm/GEOS_2x2.5/GEOS_3/2001/01/
/data/ctm/GEOS_2x2.5/GEOS_4/2001/01/

/data/ctm/GEOS_4x5/GEOS_1/2001/01/
/data/ctm/GEOS_4x5/GEOS_S/2001/01/
/data/ctm/GEOS_4x5/GEOS_3/2001/01/
/data/ctm/GEOS_4x5/GEOS_4/2001/01/

(i.e. similar to the first form, but with a "/" between 2000and 01.)

If the met field data files on your system is stored in directories whose names correspond to the first form (i.e. 200101), then you must make the following definitions in input.geos:

  • GEOS_1_DIR should be set to GEOS_1/YYYYMM/
  • GEOS_S_DIR should be set to GEOS_S/YYYYMM/
  • GEOS_3_DIR should be set to GEOS_3/YYYYMM/
  • GEOS_4_DIR should be set to GEOS_4/YYYYMM/

GEOS–CHEM will replace the YYYY and MM in these strings with the actual year and month.

On the other hand, if the met field data files on your system is stored in directory paths which correspond to the second form then you must male the following defnitions in input.geos:

  • GEOS_1_DIR should be set to GEOS_1/YYYY/MM/
  • GEOS_S_DIR should be set to GEOS_S/YYYY/MM/
  • GEOS_3_DIR should be set to GEOS_3/YYYY/MM/
  • GEOS_4_DIR should be set to GEOS_4/YYYY/MM/

Likewise, GEOS–CHEM w ill replace the YYYY and MM in these strings with the actual year and month.

43 Footer line

NOTE: Hopefully in 2004 we will fold the information contained within input.geos into a consolidated input file. Stay tuned.


5.2.4 The diag.dat file

The diag.dat file allows you to only print out certain tracers for each diagnostic. This is useful when you want to reduce the size of the ctm.bpch output. file. Here is a typical example, with line numbers provided for reference.

01:  # DIAG.DAT -- specifies which tracers to print out for the NDxx diagnostics
02:  #
03:  # VERSION 5.03.01: bmy, 1/27/03
04:  #
05:  # NOTES:
06:  # (1) Allowable syntax, e.g. 1-31  OR  1, 3-10, 11-16
07:  #-----------------------------------------------------------------------------
08:  # ND-       Tracers to read in
09:  #--+--------+-----------------------------------------------------------------
10:    01        1-3
11:    02        1-3
12:    03        1-41 
13:    04        1-41 
14:    05        1-41
15:    06        1-41
16:    07        1-41
17:    08        1-41
18:    09        1-41
19:    10        1-41
20:    11        1-41
21:    12        1-41
22:    13        1-41
23:    14        1-41
24:    15        1-41
25:    16        1-41
26:    17        1-41
27:    18        1-41
28:    19        1-41
29:    21        1-41
30:    22        1-41
31:    24        1-41
32:    25        1-41
33:    26        1-41
34:    27        1, 2, 7
35:    28        1, 4, 5, 9, 10, 11, 18, 19, 20, 21 
36:    29        1-5
37:    30        1  
38:    31        1
39:    32        1-41
40:    33        1-41
41:    34        1, 4, 5, 9, 10, 11, 18, 19, 20, 21
42:    35        1-41
43:    36        1, 4, 5, 9, 10, 18, 19, 21
44:    37        1-41
45:    38        1-41
46:    39        1-41
47:    40        1-41
48:    41        1
49:    42        1-41
50:    43        1-5
51:    44        1-41
52:    45        1-41
53:    46        1-4
54:    50        1
55:    51        1-41
56:    52        1-41
57:    53        1-41
58:    54        1-41
59:    55        1-41
60:    65        1-4
61:    66        1-4
62:    67        1-20
63:    68        1-4

For each ND-diagnostic number, list the tracer numbers that you want to print out. You can list these as single numbers separated by commas (e.g. 1, 5, 8) or by two numbers separated by a dash (e.g. 1–41).

NOTE: The GEOS–CHEM model will compute diagnostics for ALL tracers, but only the tracers listed in the diag.dat file will be printed to the ASCII or binary punch file. Therefore, before asking "why didn't I get output for tracer #?", consult the diag.dat file that you used to make sure that your tracer number was listed properly.


5.2.5 The timeseries.dat file

The timeseries.dat file allows you to define a 3-D region for which timeseries output will be printed via the ND49, ND50, and ND51 diagnostics. Here is a typical example, with line numbers added for reference.

01:  # Informations about geopraphical domain for timeserie diagnostics.
02:  # Turn on the diag 49 in input.ctm.
03:  # imin,imax          = indices of the limit boxes of the domain in longitude.
04:  #                      (note : imin can be greater than imax if 
05:  #                      we are crossing the date line)    
06:  # jmin,jmax          = indices of the limit boxes of the domain in latitude.
07:  # layermin, layermax = range of vertical layers.
08:  # date1,date2        = first date and ending date for the archival. 
09:  #                      they are given as YYMMDD (idem as input.geos).
10:  #                      the archival includes date1 and date2.
11:  # frequency          = frequency for the archival.
12:  # type of diag       = type of diag (see diag1.f for description).
13:  #                      for now, only ND45 works. 
14:  # tracers            = list of tracers corresponding to the diagnostic.  
15:  # 
16:  # Writing format : start with a "*" for each area
17:  #                  put a "=" after each line description 
18:  #                  put a "," between two data
19:  # 
20:  *area   #1
21:   imin,imax          =  1,72
22:   jmin,jmax          =  1,46
23:   layermin, layermax =  1,20
24:   date1,date2        =  970901,971201
25:   frequency          =  240
26:   type of diag       =  45
27:   tracers            =  4,20,25,29,98,99
Line Description
1-19 Header lines with information
20

Denotes start first diagnostic area (usually there is only one area per timeseries.dat file anyway...)

21 IMIN, IMAX: Starting and ending longitude indices of the 3-D timeseries data block. You can use GAMAP program ctm_index.pro to convert from an actual longitude/latitude to grid box indices.
22 JMIN, JMAX: Starting and ending latitude indices of the 3-D timeseries data block. You can use GAMAP program ctm_index.pro to convert from an actual longitude/latitude to grid box indices.
23 LAYERMIN, LAYERMAX: Starting and ending vertical levels of the 3-D timeseries data block. Most of the time you will probably want to set LAYERMAX equal to the maximum tropopause level (16 for GEOS–1, 19 for GEOS–STRAT, 20 for GEOS–3 , and 17 for GEOS–4.
24 FREQUENCY: the unit is minutes. For instantaneous concentrations (ND49), fields will be stored with this frequency. For animations of 1 week or less, a frequency of 60-180 is recommended. Longer term diagnostics are probably better done with 24h averages (ND50)
25 DATE1, DATE2: Specifies the starting and ending date for which 3-D timeseries will be produced. You can set this equal to the beginning and end times of your run (NYMDb and NYMDe in file input.geos).
26 TYPE OF DIAG: This feature was never really implemented. Leave this set at 45 (which specifies ND45 concentrations).
27 TRACERS: Tracer numbers for 3-D timeseries output (without GAMAP offset). See Section 5.2.2, The inptr.ctm file.

NOTE: Some new tracer numbers (e.g. 98, 99) were added to save out extra fields in past versions. See the documentation in routines diag49.f, diag50.f, diag51_mod.f for more information.

NOTE: Hopefully in 2004 we will fold the information contained within timeseries.dat into a consolidated input file. Stay tuned.


5.2.6 The Planeflight.dat file

Sometimes it is necessary to compare GEOS–CHEM output against aircraft observations. The ND40 diagnostic allows you to save out GEOS–CHEM diagnostic quantities for grid boxes corresponding to aircraft flight tracks. This prevents you from having to save out huge 3-D punch files with lots of species.

The Planeflight.dat file allows you to specify the diagnostic quantities (tracers, reaction rates, met fields, or chemical species) that you want to print out for a specific longitude, latitude, altitude, and time. A sample Planeflight.dat file is given below. Of course if you have lots of flight track data points, your file will be much longer.

Mat Evans has some IDL code which allows you to create a Planeflight.dat file from aircraft mission log files. Please contact him for further information.

01: Planeflight.dat -- test for GEOS–STRAT
02: Bob Yantosca
03: 26 Apr 2004
04: -------------------------------------------------------------------------------
05: 8        < -- # of variables to be output (list them below, one per line)
06: -------------------------------------------------------------------------------
07: TRA_004
08: O3
09: REA_O1D
10: REA_001
11: REA_295
12: GMAO_TEMP
13: GMAO_ABSH
14: GMAO_SURF
15: -------------------------------------------------------------------------------
16:   Now give the times and locations of the flight
17: -------------------------------------------------------------------------------
18: Point  Type DD-MM-YYYY HH:MM     LAT     LON   PRESS
19:    1 P3B04 01-01-2003 00:00   42.00  290.00  500.00
20:    2 DC801 01-01-2003 00:00   42.00  290.00  500.00
21:    3 P3B04 01-01-2003 01:00   41.00  290.00  500.00
22:    4 DC801 01-01-2003 01:00   42.00  289.00  500.00
23:    5 P3B04 01-01-2003 02:00   40.00  290.00  500.00
24:    6 DC801 01-01-2003 02:00   42.00  288.00  500.00
25:    7 P3B04 01-01-2003 03:00   39.00  290.00  500.00
26:    8 DC801 01-01-2003 03:00   42.00  287.00  500.00
27:    9 P3B04 01-01-2003 04:00   38.00  290.00  500.00
28:   10 DC801 01-01-2003 04:00   42.00  286.00  500.00
29:   11 P3B04 01-01-2003 05:00   37.00  290.00  500.00
30:   12 DC801 01-01-2003 05:00   42.00  285.00  500.00
31:   13 P3B04 01-01-2003 06:00   36.00  290.00  500.00
32:   14 DC801 01-01-2003 06:00   42.00  284.00  500.00
33:   15 P3B04 01-01-2003 07:00   35.00  290.00  500.00
34:   16 DC801 01-01-2003 07:00   42.00  283.00  500.00
35:   17 P3B04 01-01-2003 08:00   34.00  290.00  500.00
36:   18 DC801 01-01-2003 08:00   42.00  282.00  500.00
37:   19 P3B04 01-01-2003 09:00   33.00  290.00  500.00
38:   20 DC801 01-01-2003 09:00   42.00  281.00  500.00
39:   21 P3B04 01-01-2003 10:00   32.00  290.00  500.00
40:   22 DC801 01-01-2003 10:00   42.00  280.00  500.00
41:   23 P3B04 01-01-2003 11:00   31.00  290.00  500.00
42:   24 DC801 01-01-2003 11:00   42.00  279.00  500.00
43:   25 P3B04 01-01-2003 12:00   30.00  290.00  500.00
44:   26 DC801 01-01-2003 12:00   42.00  278.00  500.00
45:   27 P3B04 01-01-2003 13:00   29.00  290.00  500.00
46:   28 DC801 01-01-2003 13:00   42.00  277.00  500.00
47:   29 P3B04 01-01-2003 14:00   28.00  290.00  500.00
48:   30 DC801 01-01-2003 14:00   42.00  276.00  500.00
49:   31 P3B04 01-01-2003 15:00   27.00  290.00  500.00
50:   32 DC801 01-01-2003 15:00   42.00  275.00  500.00
51:   33 P3B04 01-01-2003 16:00   26.00  290.00  500.00
52:   34 DC801 01-01-2003 16:00   42.00  274.00  500.00
53:   35 P3B04 01-01-2003 17:00   25.00  290.00  500.00
54:   36 DC801 01-01-2003 17:00   42.00  273.00  500.00
55:   37 P3B04 01-01-2003 18:00   24.00  290.00  500.00
56:   38 DC801 01-01-2003 18:00   42.00  272.00  500.00
57:   39 P3B04 01-01-2003 19:00   23.00  290.00  500.00
58:   40 DC801 01-01-2003 19:00   42.00  271.00  500.00
59:   41 P3B04 01-01-2003 20:00   22.00  290.00  500.00
60:   42 DC801 01-01-2003 20:00   42.00  270.00  500.00
61:   43 P3B04 01-01-2003 21:00   21.00  290.00  500.00
62:   44 DC801 01-01-2003 21:00   42.00  269.00  500.00
63:   45 P3B04 01-01-2003 22:00   20.00  290.00  500.00
64:   46 DC801 01-01-2003 22:00   42.00  268.00  500.00
65:   47 P3B04 01-01-2003 23:00   19.00  290.00  500.00
66:   48 DC801 01-01-2003 23:00   42.00  267.00  500.00
67: 99999   END  0- 0-   0  0: 0    0.00    0.00    0.00
Line Description
1–4 Header lines with comments
5

Number of diagnostic quantities to print out.

6 Separator line
7–14

Here we list the diagnostic quantities that we want to print out at each flight track location. There are four different kinds of diagnostic quantities:

  • Tracers (e.g. TRA_001,  TRA_002, ...)
  • SMVGEAR reaction rates (e.g. REA_001,  REA_295)
  • SMVGEAR species concentrations (e.g. O3)
  • Met field quantities (e.g. GMAO_TEMP, GMAO_ABSH, GMAO_SURF)

NOTES:

  • Tracer numbers correspond to the same order listed in inptr.ctm. In the file above, TRA_004 refers to CO.

  • Reaction rate numbers correspond to the order listed in globchem.dat and smv2.log. In the file above, REA_001 refers to O3 + NO -> NO2+ O2 and REA_295 refers to the photolysis reaction NO2 -> NO + O3.

  • SMVGEAR species names must correspond to the species names listed in globchem.dat.

  • Right now, the only allowable GMAO met fields that can be printed out are:
    • GMAO_TEMP (temperature),
    • GMAO_ABSH (absolute humidity)
    • GMAO_SURF (aerosol surface area)
    • GMAO_PSFC (surface pressure)
    • GMAO_UWND (zonal winds)
    • GMAO_VWND (meridional winds)
15–17 Separator Lines
18 Comment line which shows you where to line up each column field of the flight track points.
19–66

Here we list quantities which define each flight track point. Make sure that each field lines up with the guides in the line above.

  • Point : Flight track data point number (used internally for reference)
  • Type  : A short string that denotes the aircraft type and flight number.
  • Date  : List the day, month, and year (GMT date) for each flight track point.
  • HH:MM : List the hour and minute (GMT time) for each flight track point.
  • Lat   : List the latitude (-90 to 90 degrees) for each flight track point.
  • Lon   : List the longitude (0 to 360 degrees) for each flight track point.
  • Press : List the pressure in hPa for each flight track point.

GEOS–CHEM will loop through each of the flight track points listed in Planeflight.dat and print out each of the diagnostic quantities. GEOS–CHEM will pick the nearest model box to each flight track point for comparison. In the future we may introduce a more intelligent interpolation scheme.

Note that it is OK to list flight track points from more than one aircraft in the same Planeflight.dat file (as is shown above). However, all flight track points must be listed in increasing order of GMT time or else they will not be interpreted correctly by GEOS–CHEM.

67 Ending line


5.2.7  The prodloss.dat file

This file is where you specify the constituents of family tracers for the ND65 diagnostic. It is only needed for a full chemistry simulation or a single tracer Ox simulation. This file is similar to the tracer.dat file (see below). Here is a typical example with line numbers for reference.

01:  C ******** family information
02:  C Please note that this file allows you to choose your own
03:  C families for the prod/loss rates. The families have nothing
04:  C to do with the tracers. You choose your own family names here.
05:  C You also must have separate entries for the production and
06:  C loss rates.
07:  
08:  C general form (for each family):
09:  C line 1:    "*family " = signal for code to start reading input
10:  C line 2:     family name
11:  C line 3:     type = prod or loss
12:  C line 4:     nmembers  = number of members in family
13:  C line 5+:    list family members, one per line
14:  C             Put the coefficient describing the contribution
15:  C             of each molecule to the family in the second column.
16:  
17:  *family #1: family * POX = O3 + NO2 + 2NO3
18:	     family     =  POX
19:	     type       =  prod
20:	     nmembers   =  9    coefficient
21:	     member1    =  O3     1
22:	     member2    =  NO2    1
23:	     member3    =  NO3    2
24:  *family #2: family * LOX = O3 + NO2 + 2NO3
25:	     family     =  LOX
26:	     type       =  loss
27:	     nmembers   =  9    coefficient
28:	     member1    =  O3     1
29:	     member2    =  NO2    1
30:	     member3    =  NO3    2
31:  *family #3: family * PCO = CO
32:	     family     =  PCO
33:	     type       =  prod
34:	     nmembers   =  1    coefficient
35:	     member1    =  CO     1
36:  *family #4: family * LCO = CO
37:	     family     =  LCO
38:	     type       =  loss
39:	     nmembers   =  1    coefficient
40:	     member1    =  CO     1
Line Description
1–15 Header lines with comments
16–40

Definitions for production/loss families for ND65 diagnostic.

General form (for each family tracer):

  • Line 1  : *family = signal for code to start reading input
  • Line 2  : family name
  • Line 3  : type = prod or loss
  • Line 4  : nmembers = number of members in family
  • Line 5+ : list family members, one per line. Put the coefficient describing the contribution of each molecule to the family in the second column.

NOTE: Hopefully in 2004 we will fold the information contained within timeseries.dat into a consolidated input file. Stay tuned.


5.3. Input files which are modified infrequently

In this section are included GEOS–CHEM input files which only need to be modified every once and a while. These include files which describe the chemistry and photolysis mechanisms. You should only have to modify these files if you wish to change the chemical mechanism or photolysis mechanism.


5.3.1 The tracer.dat file

This file is used to define the family tracers for the SMVGEAR chemistry mechanism. Family tracers are tracers such as NOx or Ox which contain more than one chemical species. In tracer.dat, we list which species of the family tracer is the emitted tracer. We also list the "species coefficient", or many molecules of each individual species are contributed to the family tracer. For example, if we define Ox = O3 + NO2 + 2NO3, then O3 will have a coefficient of 1, NO2 will have a coefficient of 1, and NO3 will have a coefficient of 2. respectively.

In the current chemical mechanism, only NOx and Ox are family tracers. Certain hydrocarbon tracers (ALK4, ISOP, MEK, ALD2, PRPE, C3H8, C2H6) are carried through GEOS–CHEM as atoms C instead of molecules tracer. For these species we list the number of moles carbon per mole tracer as the "species coefficient".

001: C ******** tracer family information
002: C general form (for each tracer):
003: C line 1:    "*tracer #i . . ."
004: C line 2:     nmembers  = number of members in family
005: C line 3+:    list family members, one per line
006: C             Put a 1 in the "emit_spec" column beside the
007: C                species that are emitted. (Note: you can
008: C                have only one emitted species per tracer family.)
009: C             Put the coefficient of tracer constituent for each 
010: C                molecule in the "coef_of_tconst" column.
011: C                (the coef_of_tconst - 1 = ctrmb)
012: C
013: C             Example: NO3 has coefficient=2 for Ox, since NO3
014: C                can photolyze twice to give two O atoms.
015: C             Example: C3H8 has coefficient=3, since we traditionally
016: C                have reported C3H8 as molecules of carbon.
017: C
018: C NOTE: We only have to specify the first 24 tracers since these will
019: C       have chemistry done by SMVGEAR.  The tracers DMS, SO2, SO4,
020: C       MSA, NH3, NH4, NIT do not need to be specified here since
021: C       chemistry for these tracers is done in sulfate_mod.f.
022: C       
023: C       -- Bob Yantosca (22 Jan 2003)
024: 
025: *tracer #1 * NOX= NO2+ NO+ NO3+ HNO2
026: 	     nmembers   =  4    emit_spec   coef_of_tconst
027: 	     member1    =  NO2                1
028: 	     member2    =  NO     1           1
029: 	     member3    =  NO3                1
030: 	     member4    =  HNO2               1
031: *tracer #2: family * OX= O3+ NO2+ 2NO3
032: 	     nmembers   =  3    emit_spec   coef_of_tconst
033: 	     member1    =  O3                 1
034: 	     member2    =  NO2                1
035: 	     member3    =  NO3                2
036: *tracer #3 * PAN
037: 	     nmembers   =  1    emit_spec  coef_of_tconst
038: 	     member1    =  PAN                1
039: *tracer #4 * CO
040: 	     nmembers   =  1    emit_spec  coef_of_tconst
041: 	     member1    =  CO     1           1
042: *tracer #5 HC2 (atoms C)= 4*ALK4
043: 	     nmembers   =  1    emit_spec  coef_of_tconst
044: 	     member1    =  ALK4   1           4
045: *tracer #6 HC1 (atoms C)=  5*ISOP
046: 	     nmembers   =  1    emit_spec  coef_of_tconst
047: 	     member1    =  ISOP   1           5
048: *tracer #7 * HNO3             
049: 	     nmembers   =  1    emit_spec  coef_of_tconst
050: 	     member1    =  HNO3               1
051: *tracer #8 * H2O2
052: 	     nmembers   =  1    emit_spec  coef_of_tconst
053: 	     member1    =  H2O2               1
054: *tracer #9 * ACET
055: 	     nmembers   =  1    emit_spec  coef_of_tconst
056: 	     member1    =  ACET   1           3 
057: *tracer #10 * MEK
058: 	     nmembers   =  1    emit_spec  coef_of_tconst
059: 	     member1    =  MEK    1           4 
060: *tracer #11 * ALD2
061: 	     nmembers   =  1    emit_spec  coef_of_tconst
062: 	     member1    =  ALD2   1           2 
063: *tracer #12 * RCHO
064: 	     nmembers   =  1    emit_spec  coef_of_tconst
065: 	     member1    =  RCHO               1
066: *tracer #13 * MVK
067: 	     nmembers   =  1    emit_spec  coef_of_tconst
068: 	     member1    =  MVK                1
069: *tracer #14 * MACR
070: 	     nmembers   =  1    emit_spec  coef_of_tconst
071: 	     member1    =  MACR               1
072: *tracer #15 * PMN
073: 	     nmembers   =  1    emit_spec  coef_of_tconst
074: 	     member1    =  PMN                1
075: *tracer #16 * PPN
076: 	     nmembers   =  1    emit_spec  coef_of_tconst
077: 	     member1    =  PPN                1
078: *tracer #17 * R4N2
079: 	     nmembers   =  1    emit_spec  coef_of_tconst
080: 	     member1    =  R4N2               1
081: *tracer #18 tracer (atoms C) =  3*PRPE
082: 	     nmembers   =  1    emit_spec  coef_of_tconst
083: 	     member1    =  PRPE     1         3
084: *tracer #19 tracer (atoms C) =  3*C3H8
085:  	     nmembers   =  1    emit_spec  coef_of_tconst
086:  	     member1    =  C3H8     1         3
087:  *tracer #20 * CH2O
088:  	     nmembers   =  1    emit_spec  coef_of_tconst
089:  	     member1    =  CH2O     1         1
090:  *tracer #21 tracer (atoms C) =  2*C2H6
091:  	     nmembers   =  1    emit_spec  coef_of_tconst
092:  	     member1    =  C2H6     1         2
093:  *tracer #22 * N2O5
094:  	     nmembers   =  1    emit_spec  coef_of_tconst
095:  	     member1    =  N2O5               1
096:  *tracer #23 * HNO4
097:  	     nmembers   =  1    emit_spec  coef_of_tconst
098:  	     member1    =  HNO4               1
099:  *tracer #24 * MP 
100:  	     nmembers   =  1    emit_spec  coef_of_tconst
101:  	     member1    =  MP                 1
102:  *tracer #25 * DMS 
103:  	     nmembers   =  1    emit_spec  coef_of_tconst
104:  	     member1    =  DMS                1
105:  *tracer #26 * SO2 
106:  	     nmembers   =  1    emit_spec  coef_of_tconst
107:  	     member1    =  SO2                1
108:  *tracer #27 * SO4
109:  	     nmembers   =  1    emit_spec  coef_of_tconst
110:  	     member1    =  SO4                1
111:  *tracer #28 * MSA 
112:  	     nmembers   =  1    emit_spec  coef_of_tconst
113:  	     member1    =  MSA                1
Line Description
1-24 Header lines with information
25-

Definition of individual constituents for each family tracer. The general form is:

  • Sub-Line 1 : *tracer #i

  • Sub-Line 2 : NMEMBERS = number of members in family

  • Sub-Line 3 : List family members, one per line.

    Put a 1 in the emit_spec column beside the species that are emitted. You may specify only one emitted species per tracer family.

    Put the coefficient of tracer constituent for each molecule in the "coef_of_tconst" column. (the coef_of_tconst - 1 = ctrmb).

    Example: NO3 has coefficient=2 for Ox, since NO3 can photolyze twice to give two O atoms.

    Example: C3H8 has coefficient=3, since we traditionally have reported C3H8 as molecules of carbon.

NOTES:

  • At this time there are only two family tracers (i.e. tracers that are a combination of more than one species) in the SMVGEAR full-chemistry simulation (NOx and Ox). The species of NOx that emits is NO, and the species of Ox that emits is NO2.

  • The tracer.dat file is used only for the SMVGEAR chemistry mechanism. We do not have to list DMS, SO2, SO4, MSA, NH3, NH4, or NIT, since chemistry for these tracers is handled by separate subroutines (in sulfate_mod.f).

  • Normally, you should not have to modify tracer.dat. The only time when you might have to modify it is if you wish to change the definition of Ox to contain more odd oxygen species.

NOTE: Hopefully in 2004 we will fold the information contained within tracer.dat into a consolidated input file. Stay tuned.


5.3.2 The mglob.dat file

This file contains convergence criteria and other parameters for SMVGEAR II (and hence is only needed for the full-chemistry simulation). Here is a typical example:

MGLOB.DAT: SMVGEAR II GLOBAL INPUT DATA SET

 $CTLFLG
  IFSOLVE = 1,  ITESTGEAR = 0,
  IFURBAN = 1,  IFTROP    = 0,  IFSTRAT   = 0,
 $END
 $CTLDIM
  KULOOP   = 500,  
  LYOUT    = 1,  LXOUT  = 1,  LZOUT    = 15,  
 $END
 $CTLTIM
  CHEMINTV = 3600.,  
 $END
 $CTLPRT
  IPRATES  = 0,  IPREADER = 1,  
  IOSPEC   = 1,  IOREAC   = 1,        
  APGASA   = ' ',            APGASB = ' ',           APGASC = ' ',  
  APGASD   = ' ',            APGASE = ' ',           APGASF = ' ',    
  APGASG   = ' ',            APGASH = ' ',
 $END
 $CLGEAR
  IFREORD  = 0,        FRACDEC = 0.25,
  PLOURB   = 900.0,    PLOTROP = 225.0, 
  ERRMAXU  = 1.00E-01, YLOWU   = 1.0E+06, YHIU = 1.0E+07, HMAXDAYU = 9.0E+02,
  ERRMAXR  = 1.00E-03, YLOWR   = 1.0E+05, YHIR = 1.0E+07, HMAXDAYR = 9.0E+02,
  ERRMAXS  = 1.00E-03, YLOWS   = 1.0E+05, YHIS = 1.0E+07, HMAXDAYS = 9.0E+02,
  HMAXNIT  = 2.00E+03, 
 $END

The three most important parameters in this file are:

CHEMINTV : Chemistry interval in seconds.   
ERRMAXU  : Relative error convergence criterion for SMVGEAR II urban domain
YLOWU    : Absolute error convergence criterion for SMVGEAR II urban domain

Recommended values: CHEMINTV = 3600; ERRMAXU = 1.0E-01; YLOWU = 1.0E+06

You should not normally have to modify this file, unless the chemistry does not converge at a particular location.

NOTE: The mglob.dat file of SMVGEAR II corresponds to the m.dat file of SMVGEAR I.


5.3.3 The globchem.dat file

This file defines the chemistry mechanism that SMVGEAR II will use. If you feel that something should be changed in this file, please consult with Daniel Jacob.

NOTE: In SMVGEAR I, the chemistry mechanism was stored in a file called chem.dat. In SMVGEAR II, the name of the chemistry mechnanism file has been changed to globchem.dat. The file format has also changed accordingly.


5.3.4 The chemga.dat file

This file defines some aerosol properties for the full-chemistry run with the SMVGEAR solver. This file is read in by SMVGEAR routine chemset.f. You should not modify these without first consulting with Daniel Jacob.

01: PARAMETERS FOR REACTIONS ON WET AEROSOLS (e.g., N2O5):
02:        0.1!E10.3   astkcf -- sticking coefficient for rxns on aerosol
03:        0.1!E10.3   xgdfcf -- gas phase diff. coef. (cm2/s) *NOT READ*
04:     0.1E-4!E10.3   xarsrds-- radius of (dry) aerosol (cm)
05: PARAMETERS FOR CONVERTING SULFATE M.R. DATA TO ARSL SFC AREA (cm2 arsl/cc air):
06:        115!I10     mwarsl -- molecular weight of aerosol (g/mol) [98,115]
07:     1.4E-0!E10.3   ruarsl -- denisity of aerosol (g/cc)
08:      +0.39!F10.2   RH100  -- deliquescence point (%) (0.39 for NH4HSO4)
09:         85!I10     iarsfa -- UNIT number for the file of sulfate M.R. data

5.3.5 The ratj.d file

This file lists the species names and branching ratios for FAST-J photolysis species. Unless you are changing the chemistry mechanism, you should not have to change this file.

Here is the ratj.d file for the current GEOS–CHEM full chemistry mechanism:

01:  # PHOTOLYSIS REACTIONS - MASTER RATEFILE - Paul Brown, Oliver Wild & David Rowley
02:  # Centre for Atmospheric Science, Cambridge, U.K.  Release date:  22 November 1993
03:  # SCCS version information: @(#)photol.d        1.2 5/11/94
04:  # 
05:  # Modified for Harvard chemistry: several reactions added, re-ordered per chem.dat
06:  # Also putting in the Harvard names in col 1, the UCI x-sec names in last col !!!
07:  #                                       -Prashant Murti [4/13/98]
08:  #
09:  # The new peroxide recycling now activates the following photolysis species:
10:  #   GP,IAP,INPN,ISN1,ISNP,MAOP,MRP,PP,PRPN,RIP,VRP.
11:  # Also be sure to set parameter JPMAX = 55 in "cmn_fj.h". 
12:  #                                       - Randall Martin & Bob Yantosca [12/20/00]
13:  #
14:  #
15:  # Harvard species             Products - UCI notation                              UCI xsec
16:  # ===============           ===============================                        ========
17: 	  1 H2O        PHOTON     OH         HO2                  0.00E+00  0.00      0.0         
18: 	  2 HO2        PHOTON     OH         O(3P)                0.00E+00  0.00      0.0         
19: 	  3 O2         PHOTON     O(3P)      O(3P)                0.00E+00  0.00    100.0  O2     
20: 	  4 O3_P       PHOTON     O2         O(3P)                0.00E+00  0.00    100.0  O3     
21: 	  5 O3         PHOTON     O2         O(1D)                0.00E+00  0.00    100.0  O3_1d  
22: 	  6 NO2        PHOTON     NO         O(3P)                0.00E+00  0.00    100.0  NO2    
23: 	  7 H2O2       PHOTON     OH         OH                   0.00E+00  0.00    100.0  H2O2   
24: 	  8 MP         PHOTON     HCHO       OH         HO2       0.00E+00  0.00    100.0  ROOH   
25: 	  9 CH2O       PHOTON     CO         HO2        HO2       0.00E+00  0.00    100.0  HCHO=H+
26: 	 10 CH2O       PHOTON     CO         H2                   0.00E+00  0.00    100.0  HCHO=H2
27: 	 11 HNO3       PHOTON     OH         NO2                  0.00E+00  0.00    100.0  HONO2  
28: 	 12 HNO2       PHOTON     OH         NO                   0.00E+00  0.00    100.0  HONO   
29: 	 13 HNO4       PHOTON     OH         NO3                  0.00E+00  0.00     33.3  HO2NO2 
30: 	 14 HNO4       PHOTON     HO2        NO2                  0.00E+00  0.00     66.7  HO2NO2 
31: 	 15 NO3        PHOTON     NO         O2                   0.00E+00  0.00    100.0  NO3=O2+
32: 	 16 NO3        PHOTON     NO2        O(3P)                0.00E+00  0.00    100.0  NO3=O+ 
33: 	 17 N2O5       PHOTON     NO3        NO         O(3P)     0.00E+00  0.00      0.0  N2O5   
34: 	 18 N2O5       PHOTON     NO3        NO2                  0.00E+00  0.00    100.0  N2O5   
35: 	 19 ALD2       PHOTON     CH4        CO                   0.00E+00  0.00    100.0  Acet=R+
36: 	 20 ALD2       PHOTON     MeOO       HO2        CO        0.00E+00  0.00    100.0  Acet=RO
37: 	 21 PAN        PHOTON     MeCO3      NO2                  0.00E+00  0.00    100.0  PAN    
38: 	 22 RCHO       PHOTON     EtO2       HO2        CO        0.00E+00  0.00    100.0  RCHO   
39: 	 23 ACET       PHOTON     MeCO3      MeOO                 0.00E+00  0.00    100.0  Acetone
40: 	 24 MEK        PHOTON     MeCO3      EtOO                 0.00E+00  0.00    100.0  EtCOMe
41: 	 25 MNO3       PHOTON     HCHO       H2O        NO2       0.00E+00  0.00    100.0  MeNO3  
42: 	 26 GLYC       PHOTON     HCHO       HO2        CO        0.00E+00  0.00    100.0  HOMeCHO
43: 	 27 GLYX       PHOTON     H2         CO                   0.00E+00  0.00     33.3  HCOCHO 
44: 	 28 GLYX       PHOTON     CO         HO2                  0.00E+00  0.00     33.3  HCOCHO 
45: 	 29 GLYX       PHOTON     HCHO       CO                   0.00E+00  0.00     33.3  HCOCHO 
46: 	 30 MGLY       PHOTON     MeCO3      CO         HO2       0.00E+00  0.00     50.0  MeCOCHO
47: 	 31 MGLY       PHOTON     Acet       CO                   0.00E+00  0.00     50.0  MeCOCHO
48: 	 32 MVK        PHOTON     PRPE       CO                   0.00E+00  0.00     60.0  MeCOVi 
49: 	 33 MVK        PHOTON     MeCO3      HCHO       CO  HO2   0.00E+00  0.00     20.0  MeCOVi 
50: 	 34 MVK        PHOTON     MeOO       MAO3                 0.00E+00  0.00     20.0  MeCOVi 
51: 	 35 MACR       PHOTON     MAO3       HO2                  0.00E+00  0.00     50.0  MACR   
52: 	 36 MACR       PHOTON     CO  HO2  MGLY  HO2  MeCO3  HCHO 0.00E+00  0.00     50.0  MACR   
53: 	 37 HAC        PHOTON     MeCO3      HCHO       HO2       0.00E+00  0.00    100.0  Acetone
54: 	 38 ETP        PHOTON     OH         HO2        Acet      0.00E+00  0.00    100.0  ROOH   
55: 	 39 RA3P       PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH   
56: 	 40 RB3P       PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH   
57: 	 41 R4P        PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH   
58: 	 42 RP         PHOTON     OH         HO2        Acet      0.00E+00  0.00    100.0  ROOH   
59: 	 43 R4N2       PHOTON     NO2 MeCOMe MEK MO2 HO2 ALD2 ... 0.00E+00  0.00    100.0  MeNO3  
60: 	 44 MAP        PHOTON     OH         MO2                  0.00E+00  0.00    100.0  ROOH   
61: 	 45 INPN       PHOTON     OH         HO2        RCHO NO2  0.00E+00  0.00    100.0  ROOH
62: 	 46 PRPN       PHOTON     OH         HO2        RCHO NO2  0.00E+00  0.00    100.0  ROOH
63: 	 47 PP         PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH
64: 	 48 GP         PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH
65: 	 49 GLP        PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH
66: 	 50 RIP        PHOTON     OH HO2 CH2O MVK MACR RIO1 IALD  0.00E+00  0.00    100.0  ROOH
67: 	 51 IAP        PHOTON     OH HO2  CO  H2  HAC  GLYC  MGLY 0.00E+00  0.00    100.0  ROOH
68: 	 52 ISNP       PHOTON     OH         HO2        RCHO NO2  0.00E+00  0.00    100.0  ROOH
69: 	 53 VRP        PHOTON     OH  HO2  CH2O  MCO3  GLYC  MGLY 0.00E+00  0.00    100.0  ROOH
70: 	 54 MRP        PHOTON     OH  HO2  MGLY  HAC  CO  CH2O    0.00E+00  0.00    100.0  ROOH 
71: 	 55 MAOP       PHOTON     OH         HO2        RCHO      0.00E+00  0.00    100.0  ROOH
72:   9999                                                       0.00E-00  0.00      0.0         
73:   
74:   
75:   
76:   NOTES:                                                                          
77:   -----                                                                           
78:  [4/15/98]
79:  Oliver Wild: All reaction data from JPL '97, IUPAC IV. IUPAC V is soon
80:  expected. - ppm
81:   
82:   
83:    All reaction data taken from IUPAC supplement IV unless otherwise indicated.
84:   
85:    JPL - data from JPL (latest assessment as far as possible)
86: 										       
87:    ? - reaction products unknown
88:    * - user strongly advised to consult source material
89:    B - branching ratio assumed equal for all channels in the absence of more information
90:    U - upper limit for rate coefficient
91:   
92:   
93:   Changes since 08/3/93 release:
94:    O now written as O(3P)
95: 										       
96:  (Note that the second of the acetaldehyde channels above occurs at wavelengths
97:  less than 289 nm, and therefore doesn't appear in the Fast-J region at all - 
98:  I've simply included it here for completeness) - [from Oliver, 3/7/98]

The photolysis reactions listed in ratj.d should correspond to those listed in chem.dat. If they do not, then FAST-J will stop execution with an indexing error message.

The pound sign (#) is treated as a comment character. If you want to place comments at the top of the file, make sure the first column begins with a #. Also, everything below the 9999 (in line 72) will not be read in. You can use this space for comments as well.

If you are trying to run a CH3I simulation, then you should use the following ratj.d file, which includes information for methyl iodide:

001:  # PHOTOLYSIS REACTIONS - MASTER RATEFILE - Paul Brown, Oliver Wild & David Rowley
002:  # Centre for Atmospheric Science, Cambridge, U.K.  Release date:  22 November 1993
003:  # SCCS version information: @(#)photol.d        1.2 5/11/94
004:  # 
005:  # Modified for Harvard chemistry: several reactions added, re-ordered per chem.dat
006:  # Also putting in the Harvard names in col 1, the UCI x-sec names in last col !!!
007:  #                                       -Prashant Murti [4/13/98]
008:  #
009:  #
010:  # Harvard species             Products - UCI notation                              UCI xsec
011:  # ===============           ===============================                        ========
012:      1 H2O        PHOTON     OH         HO2                  0.00E+00  0.00      0.0         
013:      2 HO2        PHOTON     OH         O(3P)                0.00E+00  0.00      0.0         
014:      3 O2         PHOTON     O(3P)      O(3P)                0.00E+00  0.00    100.0  O2     
015:      4 O3_P       PHOTON     O2         O(3P)                0.00E+00  0.00    100.0  O3     
016:      5 CH3I       PHOTON     CH3        I                    0.00E+00  0.00    100.0  CH3I
017:   9999                                                       0.00E-00  0.00      0.0 


5.3.6 The jv_atms.dat file

This file contains climatology for O3 and temperature, as used with the FAST-J photolysis code. You should not modify this file unless you wish to change some parameters for the photolysis. The current file is listed below.

jv_atms.dat:  T-O3 profs (McPeters/92 & Nagatani/91)  for FAST J-code (prather)   
   18   12 latitudes x months                                                     
A-85LAT 1M
	 256.4  251.1  241.9  233.2  228.0  227.8  230.3  232.3  233.4  234.0  234.4
	 235.0  236.3  238.7  242.0  245.4  248.9  252.4  256.7  263.2  271.5  279.5
	 285.5  289.2  290.2  288.4  283.8  276.0  269.5  263.3  257.1  249.8  242.5
	 235.0  227.0  218.2  209.1  199.9  190.7  170.7  170.4
	 0.025  0.033  0.035  0.027  0.043  0.129  0.306  0.577  0.993  1.727  2.800
	 3.637  3.896  3.841  3.957  4.253  4.750  5.369  5.849  5.959  5.630  4.829
	 3.862  3.004  2.321  1.808  1.445  1.176  0.955  0.770  0.654
etc...


5.3.7 The jv_spec.dat file

This file contains cross-sections and quantum yields for FAST-J photolysis species. The current file is listed below. You should not have to modify this file unless you wish to change some parameters for the photolysis.

jv_spec.dat:  FAST-J, std JPL 00 (mje 4/02) -- aerosol & mineral dust (rvm, 3/02)
NW-JValues   27    7    1    7     NJVAL, NWWW, NW1:NW2			       
w-beg (nm)    289.00    298.25    307.45    312.45    320.30    345.00    412.45
w-end (nm)    298.25    307.45    312.45    320.30    345.00    412.45    850.00
w-eff (nm)      294.      303.      310.      316.      333.      380.      574.
SOL#/cm2/s 7.352E+14 7.332E+14 5.022E+14 8.709E+14 3.786E+15 1.544E+16 2.110E+17
Raylay cm2  6.18E-26  5.43E-26  4.92E-26  4.54E-26  3.63E-26  2.09E-26  3.83E-27
BCarb m2/g     10.08      9.96      9.87      9.79      9.58      9.00      6.50
O2     180								       
O2     260								       
O2     300								       
O3     180 8.693E-19 2.365E-19 8.722E-20 3.694E-20 4.295E-21 1.804E-23 1.630E-21
O3     260 9.189E-19 2.571E-19 9.673E-20 4.141E-20 5.457E-21 2.775E-23 1.630E-21
O3     300 9.574E-19 2.777E-19 1.075E-19 4.725E-20 6.782E-21 4.824E-23 1.630E-21
O3_1d  180 9.500E-01 9.330E-01 4.270E-01 6.930E-02 6.060E-02       0.0       0.0
O3_1d  260 9.500E-01 9.420E-01 4.890E-01 1.360E-01 7.110E-02       0.0       0.0
O3_1d  300 9.500E-01 9.550E-01 5.870E-01 2.370E-01 8.570E-02       0.0       0.0
NO2    200 1.048E-19 1.494E-19 1.898E-19 2.295E-19 3.391E-19 4.230E-19 4.047E-22
NO2    300 1.039E-19 1.462E-19 1.845E-19 2.223E-19 3.256E-19 4.150E-19 4.020E-22
H2O2   200 8.838E-21 4.991E-21 3.190E-21 2.099E-21 7.716E-22 1.707E-23       0.0
H2O2   300 9.801E-21 5.718E-21 3.773E-21 2.568E-21 1.020E-21 2.287E-23       0.0
ROOH   300 5.883E-21 3.573E-21 2.437E-21 1.756E-21 7.428E-22 4.194E-23       0.0
ROOH   300 5.883E-21 3.573E-21 2.437E-21 1.756E-21 7.428E-22 4.194E-23       0.0
HCHO=H+223       0.0 1.969E-20 1.274E-20 1.971E-20 4.354E-21       0.0       0.0
HCHO=H+293       0.0 1.873E-20 1.304E-20 1.896E-20 3.949E-21       0.0       0.0
HCHO=H2223       0.0 6.475E-21 4.392E-21 9.027E-21 1.041E-20 1.946E-22       0.0
HCHO=H2293       0.0 6.163E-21 4.500E-21 8.715E-21 9.434E-21 1.883E-22       0.0
HONO2  200 3.706E-21 1.377E-21 5.451E-22 2.102E-22 2.154E-23 8.105E-26       0.0
HONO2  300 4.747E-21 1.923E-21 8.314E-22 3.589E-22 4.764E-23 2.499E-25       0.0
HONO   300       0.0       0.0 1.265E-20 3.469E-20 1.090E-19 8.644E-20 0.000E+00
HONO   300       0.0       0.0 1.265E-20 3.469E-20 1.090E-19 8.644E-20 0.000E+00
HO2NO2 300 2.869E-20 1.102E-20 5.222E-21 2.794E-21 3.255E-22       0.0       0.0
HO2NO2 300 2.869E-20 1.102E-20 5.222E-21 2.794E-21 3.255E-22       0.0       0.0
NO3=O+ 298       0.0       0.0       0.0       0.0       0.0       0.0 7.428E-19
NO3=O+ 298       0.0       0.0       0.0       0.0       0.0       0.0 7.428E-19
NO3=O2+298       0.0       0.0       0.0       0.0       0.0       0.0 9.569E-20
NO3=O2+298       0.0       0.0       0.0       0.0       0.0       0.0 9.569E-20
N2O5   225 4.130E-20 1.998E-20 1.167E-20 7.250E-21 2.296E-21 1.161E-22       0.0
N2O5   300 5.718E-20 3.317E-20 2.223E-20 1.552E-20 6.409E-21 5.415E-22       0.0
Acet=RO298 4.008E-20 2.869E-20 1.840E-20 3.626E-21       0.0       0.0       0.0
Acet=RO298 4.008E-20 2.869E-20 1.840E-20 3.626E-21       0.0       0.0       0.0
Acet=R+298       0.0       0.0       0.0       0.0       0.0       0.0       0.0
Acet=R+298       0.0       0.0       0.0       0.0       0.0       0.0       0.0
PAN    250 2.714E-21 9.251E-22 4.342E-22 2.290E-22 5.508E-23 6.551E-25       0.0
PAN    298 3.931E-21 1.399E-21 6.730E-22 3.630E-22 9.301E-23 1.193E-24       0.0
RCHO   298 5.203E-20 3.671E-20 2.220E-20 1.170E-20 1.569E-21       0.0       0.0
RCHO   298 5.203E-20 3.671E-20 2.220E-20 1.170E-20 1.569E-21       0.0       0.0
Acetone235 2.982E-20 1.301E-20 4.321E-21 1.038E-21 5.878E-23 1.529E-25 0.000E+00
Acetone298 3.255E-20 1.476E-20 5.179E-21 1.304E-21 9.619E-23 2.671E-25 0.000E+00
EtCOMe 298 1.432E-20 4.217E-21 1.150E-21 3.394E-22 4.706E-23       0.0       0.0
EtCOMe 298 1.432E-20 4.217E-21 1.150E-21 3.394E-22 4.706E-23       0.0       0.0
MeNO3  298 2.871E-20 1.080E-20 5.497E-21 3.460E-21 2.919E-22       0.0       0.0
MeNO3  298 2.871E-20 1.080E-20 5.497E-21 3.460E-21 2.919E-22       0.0       0.0
HOMeCHO296 2.322E-20 1.773E-20 1.139E-20 5.584E-21 3.639E-22       0.0       0.0
HOMeCHO296 2.322E-20 1.773E-20 1.139E-20 5.584E-21 3.639E-22       0.0       0.0
HCOCHO 298 9.701E-22 1.498E-21 8.257E-21 1.434E-21 2.078E-22 6.393E-22 3.277E-22
HCOCHO 298 9.701E-22 1.498E-21 8.257E-21 1.434E-21 2.078E-22 6.393E-22 3.277E-22
MeCOCHO298 2.381E-21 1.853E-21 1.296E-21 9.572E-22 3.327E-22 2.004E-21 4.255E-22
MeCOCHO298 2.381E-21 1.853E-21 1.296E-21 9.572E-22 3.327E-22 2.004E-21 4.255E-22
MeCOVi 298 1.388E-21 1.985E-21 2.587E-21 2.837E-21 3.115E-21 6.627E-22       0.0
MeCOVi 298 1.388E-21 1.985E-21 2.587E-21 2.837E-21 3.115E-21 6.627E-22       0.0
MACR   298 7.862E-22 1.215E-21 1.645E-21 1.804E-21 1.998E-21 3.654E-22       0.0
MACR   298 7.862E-22 1.215E-21 1.645E-21 1.804E-21 1.998E-21 3.654E-22       0.0
CH3I   225 3.289E-20 9.071E-21 4.037E-21 2.073E-21 3.577E-22 1.551E-24 0.000E+00
CH3I   298 5.024E-20 1.479E-20 6.296E-21 3.199E-21 6.783E-22 6.121E-24 0.000E+00
===================Pressure Dependencies========================================
Pressure Dep: 1  							       
Acetone    5.651E-20 1.595E-19 2.134E-19 1.262E-19 1.306E-19 1.548E-19 0.000E+00
================================================================================
NW-SCATTER   56  ! Scattering phase fns, scale extinct @ 999 nm    (mjp 99/07) 
 w(nm)    Q    r-eff  ss-alb  pi(0) pi(1) pi(2) pi(3) pi(4) pi(5) pi(6) pi(7)  
01 RAYLE  = Rayleigh phase						       
  300   123.5  0.001  1.0000  1.000   0.0 0.500   0.0   0.0   0.0   0.0   0.0  
  400    39.1  0.001  1.0000  1.000   0.0 0.500   0.0   0.0   0.0   0.0   0.0  
  600     7.7  0.001  1.0000  1.000   0.0 0.500   0.0   0.0   0.0   0.0   0.0  
  999     1.0  0.001  1.0000  1.000   0.0 0.500   0.0   0.0   0.0   0.0   0.0  
02 ISOTR  = isotropic							       
  300     1.0  0.001  1.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
  400     1.0  0.001  1.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
  600     1.0  0.001  1.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
  999     1.0  0.001  1.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
03 ABSRB  = fully absorbing 'soot', wavelength indep.			       
  300     1.0  0.039  0.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
  400     1.0  0.039  0.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
  600     1.0  0.039  0.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
  999     1.0  0.039  0.0000  1.000   0.0   0.0   0.0   0.0   0.0   0.0   0.0  
04 S_Bkg = backgrnd stratospheric sulfate (n=1.46, log-norm: r=.09um/sigma=.6) 
  300  2.7541  0.221  1.0000  1.000 2.157 2.767 2.627 2.457 2.098 1.792 1.518  
  400  2.4017  0.221  1.0000  1.000 2.146 2.641 2.422 2.122 1.709 1.357 1.070  
  600  1.6454  0.221  1.0000  1.000 2.076 2.377 2.023 1.608 1.177 0.846 0.599  
  999  0.7449  0.221  1.0000  1.000 1.877 1.920 1.412 0.970 0.614 0.388 0.238  
05 S_Vol = volcanic stratospheric sulfate (n=1.46, log-norm: r=.08um/sigma=.8) 
  300  2.6437  0.386  1.0000  1.000 2.152 2.901 2.856 2.971 2.772 2.709 2.587  
  400  2.5603  0.386  1.0000  1.000 2.142 2.810 2.706 2.691 2.421 2.254 2.066  
  600  2.2221  0.386  1.0000  1.000 2.127 2.673 2.488 2.308 1.963 1.698 1.461  
  999  1.5319  0.386  1.0000  1.000 2.076 2.458 2.165 1.841 1.449 1.142 0.898  
06 W_H01 = water haze (H1/Deirm.) (n=1.335, gamma:  r-mode=0.1um / alpha=2)    
  300  2.8438   0.25  1.0000  1.000 2.454 3.376 3.624 3.608 3.300 2.911 2.526  
  400  2.3497   0.25  1.0000  1.000 2.431 3.235 3.355 3.108 2.686 2.180 1.690  
  600  1.4037   0.25  1.0000  1.000 2.328 2.789 2.593 2.062 1.492 1.013 0.632  
  999  0.5034   0.25  1.0000  1.000 1.916 1.870 1.233 0.704 0.338 0.154 0.062  
07 W_H04 = water haze (H1/Deirm.) (n=1.335, gamma:  r-mode=0.4um / alpha=2)    
  300  2.2995   1.00  1.0000  1.000 2.433 3.625 4.104 4.645 5.020 5.409 5.802  
  400  2.4743   1.00  1.0000  1.000 2.341 3.475 3.863 4.320 4.589 4.878 5.125  
  600  2.6719   1.00  1.0000  1.000 2.325 3.334 3.624 3.896 3.939 3.968 3.964  
  999  2.9565   1.00  1.0000  1.000 2.434 3.393 3.685 3.709 3.528 3.213 2.903  
08 W_C02 = water cloud (C1/Deirm.) (n=1.335, gamma:  r-mode=2.0um / alpha=6)   
  300  2.1410   3.00  1.0000  1.000 2.544 3.886 4.572 5.256 5.933 6.530 7.291  
  400  2.1778   3.00  1.0000  1.000 2.513 3.834 4.480 5.160 5.785 6.356 7.044  
  600  2.2287   3.00  1.0000  1.000 2.483 3.767 4.359 4.998 5.542 6.054 6.639  
  999  2.3071   3.00  1.0000  1.000 2.395 3.597 4.063 4.648 5.052 5.478 5.857  
09 W_C04 = water cloud (C1/Deirm.) (n=1.335, gamma:  r-mode=4.0um / alpha=6)   
  300  2.0835   6.00  1.0000  1.000 2.596 3.973 4.725 5.406 6.129 6.751 7.607  
  400  2.1064   6.00  1.0000  1.000 2.571 3.936 4.660 5.345 6.056 6.670 7.492  
  600  2.1345   6.00  1.0000  1.000 2.557 3.902 4.596 5.263 5.923 6.507 7.267  
  999  2.1922   6.00  1.0000  1.000 2.499 3.799 4.418 5.081 5.667 6.213 6.851  
10 W_C08 = water cloud (C1/Deirm.) (n=1.335, gamma:  r-mode=8.0um / alpha=6)   
  300  2.0539  12.00  1.0000  1.000 2.619 4.013 4.798 5.476 6.232 6.870 7.780  
  400  2.0643  12.00  1.0000  1.000 2.611 3.999 4.773 5.451 6.194 6.826 7.716  
  600  2.0883  12.00  1.0000  1.000 2.589 3.965 4.712 5.394 6.121 6.744 7.599  
  999  2.1236  12.00  1.0000  1.000 2.563 3.917 4.625 5.302 5.992 6.593 7.385  
11 W_C13 = water cloud (C1/Deirm.) (n=1.335, gamma:  r-mode=13.3um / alpha=6)  
  300  2.0440  20.00  1.0000  1.000 2.627 4.026 4.822 5.499 6.264 6.907 7.833  
  400  2.0529  20.00  1.0000  1.000 2.620 4.014 4.800 5.477 6.234 6.872 7.783  
  600  2.0716  20.00  1.0000  1.000 2.604 3.990 4.755 5.435 6.178 6.807 7.690  
  999  2.0978  20.00  1.0000  1.000 2.585 3.955 4.691 5.368 6.077 6.688 7.520  
12 W_L06 = water cloud (Lacis) (n=1.335, r-mode=5.5um / alpha=11/3)	       
  300  2.0616  10.00  1.0000  1.000 2.613 4.002 4.779 5.458 6.205 6.839 7.735  
  400  2.0747  10.00  1.0000  1.000 2.601 3.984 4.745 5.425 6.158 6.785 7.657  
  600  2.1005  10.00  1.0000  1.000 2.580 3.947 4.679 5.359 6.070 6.684 7.514  
  999  2.1423  10.00  1.0000  1.000 2.545 3.884 4.568 5.244 5.909 6.496 7.250  
13 Ice-H = hexagonal ice cloud (Mishchenko)				       
  300  2.0000    67.  1.0000  1.000 2.435 3.712 4.756 5.960 6.908 7.865 8.954  
  400  2.0000    67.  1.0000  1.000 2.435 3.712 4.756 5.960 6.908 7.865 8.954  
  600  2.0000    67.  1.0000  1.000 2.435 3.712 4.756 5.960 6.908 7.865 8.954  
  999  2.0000    67.  1.0000  1.000 2.435 3.712 4.756 5.960 6.908 7.865 8.954  
14 Ice-I = irregular ice cloud (Mishchenko)				       
  300  2.0000    50.  1.0000  1.000 2.257 3.164 4.096 5.088 6.018 6.897 7.794  
  400  2.0000    50.  1.0000  1.000 2.257 3.164 4.096 5.088 6.018 6.897 7.794  
  600  2.0000    50.  1.0000  1.000 2.257 3.164 4.096 5.088 6.018 6.897 7.794  
  999  2.0000    50.  1.0000  1.000 2.257 3.164 4.096 5.088 6.018 6.897 7.794  
15 Mdust 0.15 = mineral dust (R.V.Martin)				       
  300  3.0039  0.150  0.884 1.000 2.030 2.363 2.082 1.710 1.290  0.941  0.638  
  400  2.4763  0.150  0.937 1.000 1.988 2.151 1.735 1.248 0.809  0.503  0.279  
  600  1.2768  0.150  0.979 1.000 1.816 1.675 1.075 0.604 0.281  0.132  0.049  
  999  0.3595  0.150  0.958 1.000 1.320 0.994 0.377 0.126 0.031  0.008  0.001  
16 Mdust 0.25 = mineral dust (R.V.Martin)				       
  300  2.9406  0.250  0.820 1.000 2.046 2.643 2.593 2.634 2.406  2.244  1.944  
  400  3.1046  0.250  0.913 1.000 2.021 2.486 2.264 2.047 1.671  1.362  1.039  
  600  2.6144  0.250  0.980 1.000 2.026 2.296 1.926 1.470 1.013  0.668  0.403  
  999  1.2426  0.250  0.974 1.000 1.824 1.689 1.087 0.611 0.286  0.134  0.050  
17 Mdust 0.4 = mineral dust (R.V.Martin)				       
  300  2.6069  0.400  0.739 1.000 2.192 3.070 3.393 3.903 4.021  4.248  4.168  
  400  2.8244  0.400  0.860 1.000 2.027 2.711 2.679 2.900 2.734  2.723  2.478  
  600  3.1156  0.400  0.971 1.000 2.017 2.537 2.306 2.136 1.761  1.466  1.151  
  999  2.4773  0.400  0.975 1.000 2.036 2.286 1.903 1.428 0.966  0.623  0.368  
18 Mdust 0.8 = mineral dust (R.V.Martin)				       
  300  2.3457  0.800  0.640 1.000 2.517 3.780 4.729 5.755 6.524  7.339  7.903  
  400  2.4344  0.800  0.763 1.000 2.295 3.320 3.800 4.578 4.913  5.482  5.662  
  600  2.6416  0.800  0.936 1.000 2.023 2.830 2.805 3.279 3.178  3.418  3.275  
  999  3.0396  0.800  0.957 1.000 2.019 2.618 2.441 2.414 2.106  1.895  1.610  
19 Mdust 1.5 = mineral dust (R.V.Martin)				       
  300  2.2228  1.500  0.579 1.000 2.705 4.250 5.641 7.023 8.293  9.539 10.662  
  400  2.2732  1.500  0.676 1.000 2.539 3.821 4.771 5.881 6.738  7.733  8.463  
  600  2.3707  1.500  0.890 1.000 2.240 3.259 3.544 4.375 4.592  5.292  5.471  
  999  2.5751  1.500  0.913 1.000 2.083 2.944 3.008 3.555 3.538  3.852  3.789  
20 Mdust 2.5 = mineral dust (R.V.Martin)				       
  300  2.1579  2.500  0.556 1.000 2.780 4.476 6.085 7.664 9.186 10.673 12.096  
  400  2.1923  2.500  0.616 1.000 2.678 4.164 5.458 6.813 8.046  9.325 10.461  
  600  2.2560  2.500  0.842 1.000 2.391 3.526 4.044 5.035 5.527  6.483  6.961  
  999  2.3716  2.500  0.869 1.000 2.268 3.300 3.634 4.458 4.720  5.401  5.624  
21 Mdust 4.0 = mineral dust (R.V.Martin)				       
  300  2.1154  4.000  0.550 1.000 2.809 4.574 6.281 7.960 9.607 11.224 12.806  
  400  2.1402  4.000  0.577 1.000 2.761 4.405 5.941 7.485 8.974 10.462 11.878  
  600  2.1852  4.000  0.786 1.000 2.505 3.744 4.488 5.599 6.354  7.485  8.238  
  999  2.2637  4.000  0.819 1.000 2.413 3.563 4.133 5.118 5.652  6.582  7.097  
22 S00(rvm) Trop sulfate at RH=00 (n@400=1.44 log-norm: r=.05um/sigma=2.0)     
  300  2.1411  0.159  1.0000  1.000 2.107 2.570 2.325 2.050 1.662 1.353 1.095  
  400  1.5786  0.159  1.0000  1.000 2.116 2.510 2.228 1.873 1.461 1.126 0.865  
  600  0.9088  0.159  1.0000  1.000 2.027 2.269 1.885 1.470 1.067 0.765 0.544  
 1000  0.3537  0.159  1.0000  1.000 1.815 1.865 1.368 0.952 0.619 0.404 0.260  
23 S50(rvm) Trop sulfate at RH=50 (n@400=1.38 log-norm: r=.06um/sigma=2.0)     
  300  2.3057  0.217  1.0000  1.000 2.274 2.963 2.935 2.768 2.430 2.099 1.812  
  400  1.8327  0.217  1.0000  1.000 2.279 2.900 2.823 2.563 2.172 1.797 1.477  
  600  1.1573  0.217  1.0000  1.000 2.212 2.679 2.473 2.112 1.683 1.309 1.006  
 1000  0.5062  0.217  1.0000  1.000 2.033 2.273 1.894 1.469 1.065 0.762 0.536  
24 S70(rvm) Trop sulfate at RH=70 (n@400=1.36 log-norm: r=.07um/sigma=2.0)     
  300  2.3816  0.241  1.0000  1.000 2.302 3.044 3.070 2.945 2.635 2.318 2.034  
  400  1.9462  0.241  1.0000  1.000 2.310 2.986 2.964 2.743 2.371 1.998 1.673  
  600  1.2726  0.241  1.0000  1.000 2.254 2.782 2.632 2.298 1.874 1.488 1.167  
 1000  0.5840  0.241  1.0000  1.000 2.089 2.388 2.053 1.635 1.218 0.891 0.642  
25 S80(rvm) Trop sulfate at RH=80 (n@400=1.36 log-norm: r=.07um/sigma=2.0)     
  300  2.4415  0.260  1.0000  1.000 2.317 3.092 3.153 3.060 2.773 2.471 2.196  
  400  2.0391  0.260  1.0000  1.000 2.328 3.040 3.054 2.862 2.508 2.142 1.816  
  600  1.3726  0.260  1.0000  1.000 2.280 2.851 2.740 2.429 2.011 1.620 1.289  
 1000  0.6501  0.260  1.0000  1.000 2.130 2.473 2.173 1.765 1.340 0.997 0.730  
26 S90(rvm) Trop sulfate at RH=90 (n@400=1.35 log-norm: r=.08um/sigma=2.0)     
  300  2.5294  0.297  1.0000  1.000 2.337 3.166 3.281 3.244 3.002 2.733 2.479  
  400  2.1924  0.297  1.0000  1.000 2.352 3.121 3.194 3.053 2.733 2.386 2.067  
  600  1.5527  0.297  1.0000  1.000 2.319 2.958 2.912 2.643 2.243 1.850 1.506  
 1000  0.7869  0.297  1.0000  1.000 2.189 2.606 2.366 1.979 1.547 1.181 0.887  
27 S95(rvm) Trop sulfate at RH=95 (n@400=1.35 log-norm: r=.10um/sigma=2.0)     
  300  2.6088  0.347  1.0000  1.000 2.349 3.227 3.392 3.420 3.232 3.012 2.796  
  400  2.3545  0.347  1.0000  1.000 2.370 3.194 3.323 3.242 2.967 2.652 2.353  
  600  1.7709  0.347  1.0000  1.000 2.352 3.060 3.083 2.866 2.494 2.107 1.759  
 1000  0.9688  0.347  1.0000  1.000 2.248 2.746 2.577 2.222 1.791 1.405 1.085  
28 S99(rvm) Trop sulfate at RH=99 (n@400=1.34 log-norm: r=.14um/sigma=2.0)     
  300  2.6638  0.498  1.0000  1.000 2.355 3.326 3.577 3.760 3.717 3.648 3.566  
  400  2.6086  0.498  1.0000  1.000 2.384 3.311 3.540 3.603 3.454 3.252 3.045  
  600  2.2570  0.498  1.0000  1.000 2.395 3.233 3.387 3.301 3.021 2.691 2.372  
 1000  1.4906  0.498  1.0000  1.000 2.346 3.015 3.005 2.751 2.356 1.957 1.601  
29 BC00(rvm) Black C, RH=00 (n@400=1.75-.46i log-norm: r=.01um/sigma=2.0)      
  300  1.0643  0.039  0.3128  1.000 1.361 1.201 0.710 0.410 0.231 0.135 0.080  
  400  0.7563  0.039  0.2672  1.000 1.189 1.018 0.514 0.262 0.131 0.069 0.037  
  600  0.4289  0.039  0.1920  1.000 0.961 0.828 0.324 0.135 0.056 0.024 0.011  
 1000  0.2166  0.039  0.0964  1.000 0.672 0.661 0.167 0.048 0.013 0.003 0.001  
30 BC50(rvm) Black C, RH=50 (n@400=1.75-.46i log-norm: r=.01um/sigma=2.0)      
  300  1.0643  0.039  0.3128  1.000 1.361 1.201 0.710 0.410 0.231 0.135 0.080  
  400  0.7563  0.039  0.2672  1.000 1.189 1.018 0.514 0.262 0.131 0.069 0.037  
  600  0.4289  0.039  0.1920  1.000 0.961 0.828 0.324 0.135 0.056 0.024 0.011  
 1000  0.2166  0.039  0.0964  1.000 0.672 0.661 0.167 0.048 0.013 0.003 0.001  
31 BC70(rvm) Black C, RH=70 (n@400=1.75-.46i log-norm: r=.01um/sigma=2.0)      
  300  1.0643  0.039  0.3128  1.000 1.361 1.201 0.710 0.410 0.231 0.135 0.080  
  400  0.7563  0.039  0.2672  1.000 1.189 1.018 0.514 0.262 0.131 0.069 0.037  
  600  0.4289  0.039  0.1920  1.000 0.961 0.828 0.324 0.135 0.056 0.024 0.011  
 1000  0.2166  0.039  0.0964  1.000 0.672 0.661 0.167 0.048 0.013 0.003 0.001  
32 BC80(rvm) Black C, RH=80 (n@400=1.57-.27i log-norm: r=.01um/sigma=2.0)      
  300  0.9310  0.047  0.3604  1.000 1.626 1.530 1.035 0.659 0.407 0.255 0.160  
  400  0.6525  0.047  0.3131  1.000 1.438 1.291 0.768 0.439 0.245 0.140 0.081  
  600  0.3640  0.047  0.2331  1.000 1.171 1.022 0.490 0.236 0.112 0.055 0.028  
 1000  0.1808  0.047  0.1220  1.000 0.827 0.768 0.254 0.089 0.030 0.010 0.003  
33 BC90(rvm) Black C, RH=90 (n@400=1.48-.17i log-norm: r=.02um/sigma=2.0)      
  300  0.8554  0.055  0.4318  1.000 1.811 1.807 1.338 0.919 0.608 0.402 0.266  
  400  0.5876  0.055  0.3839  1.000 1.623 1.535 1.017 0.635 0.384 0.234 0.144  
  600  0.3186  0.055  0.2989  1.000 1.341 1.206 0.664 0.356 0.187 0.101 0.054  
 1000  0.1518  0.055  0.1666  1.000 0.966 0.879 0.350 0.143 0.057 0.023 0.008  
34 BC95(rvm) Black C, RH=95 (n@400=1.45-.14i log-norm: r=.02um/sigma=2.0)      
  300  0.8369  0.059  0.4723  1.000 1.882 1.925 1.476 1.046 0.712 0.481 0.325  
  400  0.5692  0.059  0.4251  1.000 1.697 1.644 1.136 0.735 0.459 0.288 0.181  
  600  0.3039  0.059  0.3389  1.000 1.414 1.293 0.750 0.420 0.229 0.128 0.071  
 1000  0.1411  0.059  0.1961  1.000 1.029 0.935 0.399 0.174 0.074 0.032 0.013  
35 BC99(rvm) Black C, RH=99 (n@400=1.39-.07i log-norm: r=.02um/sigma=2.0)      
  300  0.8533  0.075  0.6328  1.000 2.076 2.294 1.941 1.506 1.109 0.802 0.576  
  400  0.5647  0.075  0.5956  1.000 1.914 2.001 1.554 1.117 0.765 0.519 0.350  
  600  0.2860  0.075  0.5187  1.000 1.643 1.599 1.074 0.682 0.416 0.256 0.157  
 1000  0.1184  0.075  0.3536  1.000 1.248 1.150 0.602 0.311 0.157 0.081 0.041  
36 OC00(rvm) Organic C, RH=00 (n@400=1.53-.005i log-norm: r=.02um/sigma=2.0)   
  300  1.0162  0.070  0.9530  1.000 1.871 1.938 1.467 1.056 0.706 0.480 0.316  
  400  0.6261  0.070  0.9673  1.000 1.759 1.732 1.211 0.811 0.503 0.321 0.196  
  600  0.2733  0.070  0.9493  1.000 1.559 1.436 0.876 0.522 0.290 0.168 0.093  
 1000  0.0833  0.070  0.7901  1.000 1.234 1.089 0.528 0.262 0.125 0.064 0.031  
37 OC50(rvm) Organic C, RH=50 (n@400=1.44-.003i log-norm: r=.03um/sigma=2.0)   
  300  1.1021  0.087  0.9716  1.000 2.040 2.288 1.914 1.500 1.095 0.789 0.565  
  400  0.6904  0.087  0.9803  1.000 1.939 2.074 1.626 1.198 0.822 0.561 0.378  
  600  0.3114  0.087  0.9696  1.000 1.739 1.732 1.207 0.802 0.498 0.313 0.193  
 1000  0.0955  0.087  0.8711  1.000 1.402 1.301 0.740 0.417 0.224 0.126 0.069  
38 OC70(rvm) Organic C, RH=70 (n@400=1.42-.002i log-norm: r=.03um/sigma=2.0)   
  300  1.1602  0.095  0.9771  1.000 2.095 2.408 2.079 1.675 1.258 0.928 0.680  
  400  0.7380  0.095  0.9843  1.000 1.998 2.194 1.783 1.354 0.959 0.671 0.464  
  600  0.3373  0.095  0.9759  1.000 1.805 1.845 1.342 0.924 0.596 0.385 0.245  
 1000  0.1047  0.095  0.8982  1.000 1.470 1.390 0.834 0.490 0.275 0.159 0.090  
39 OC80(rvm) Organic C, RH=80 (n@400=1.40-.002i log-norm: r=.03um/sigma=2.0)   
  300  1.2225  0.102  0.9811  1.000 2.134 2.499 2.208 1.817 1.393 1.047 0.781  
  400  0.7864  0.102  0.9871  1.000 2.045 2.289 1.912 1.487 1.078 0.770 0.543  
  600  0.3664  0.102  0.9805  1.000 1.858 1.937 1.455 1.030 0.682 0.451 0.294  
 1000  0.1150  0.102  0.9180  1.000 1.527 1.466 0.916 0.556 0.322 0.191 0.111  
40 OC90(rvm) Organic C, RH=90 (n@400=1.38-.001i log-norm: r=.03um/sigma=2.0)   
  300  1.3563  0.116  0.9867  1.000 2.196 2.646 2.424 2.062 1.634 1.265 0.972  
  400  0.8922  0.116  0.9911  1.000 2.119 2.451 2.137 1.727 1.301 0.961 0.701  
  600  0.4317  0.116  0.9869  1.000 1.946 2.099 1.661 1.229 0.850 0.583 0.394  
 1000  0.1401  0.116  0.9462  1.000 1.629 1.607 1.073 0.688 0.418 0.258 0.157  
41 OC95(rvm) Organic C, RH=95 (n@400=1.37-.001i log-norm: r=.04um/sigma=2.0)   
  300  1.5220  0.133  0.9909  1.000 2.248 2.781 2.631 2.306 1.885 1.502 1.186  
  400  1.0365  0.133  0.9941  1.000 2.184 2.601 2.355 1.969 1.535 1.169 0.879  
  600  0.5230  0.133  0.9915  1.000 2.031 2.262 1.877 1.446 1.042 0.740 0.517  
 1000  0.1771  0.133  0.9665  1.000 1.734 1.761 1.251 0.844 0.538 0.345 0.219  
42 OC99(rvm) Organic C, RH=99 (n@400=1.350.000i log-norm: r=.05um/sigma=2.0)   
  300  1.9223  0.177  0.9958  1.000 2.322 3.000 2.985 2.758 2.380 1.999 1.664  
  400  1.4182  0.177  0.9975  1.000 2.288 2.866 2.763 2.452 2.032 1.637 1.301  
  600  0.7958  0.177  0.9967  1.000 2.178 2.576 2.318 1.921 1.487 1.124 0.836  
 1000  0.3046  0.177  0.9883  1.000 1.935 2.089 1.655 1.224 0.851 0.586 0.398  
43 SSa00(rvm) Sea Salt (accum), RH=00 (n@400=1.50 log-norm: r=.21um/sigma=2.0) 
  300  2.4998  0.732  0.9999  1.000 2.122 3.044 3.083 3.688 3.676 4.110 4.155  
  400  2.6308  0.732  1.0000  1.000 2.096 2.938 2.916 3.332 3.234 3.455 3.412  
  600  2.7565  0.732  1.0000  1.000 2.092 2.812 2.714 2.854 2.633 2.591 2.435  
 1000  2.5373  0.732  0.9987  1.000 2.125 2.701 2.530 2.378 2.037 1.776 1.533  
44 SSa50(rvm) Sea Salt (accum), RH=50 (n@400=1.38 log-norm: r=.34um/sigma=2.0) 
  300  2.3632  1.177  1.0000  1.000 2.337 3.457 3.796 4.390 4.661 5.083 5.455  
  400  2.4743  1.177  1.0000  1.000 2.318 3.383 3.677 4.144 4.330 4.586 4.814  
  600  2.6330  1.177  1.0000  1.000 2.316 3.297 3.529 3.799 3.814 3.849 3.864  
 1000  2.6210  1.177  0.9995  1.000 2.345 3.224 3.387 3.422 3.241 3.028 2.821  
45 SSa70(rvm) Sea Salt (accum), RH=70 (n@400=1.37 log-norm: r=.38um/sigma=2.0) 
  300  2.3305  1.324  1.0000  1.000 2.368 3.522 3.911 4.518 4.845 5.290 5.712  
  400  2.4328  1.324  1.0000  1.000 2.347 3.450 3.796 4.289 4.526 4.828 5.109  
  600  2.5958  1.324  1.0000  1.000 2.338 3.359 3.640 3.953 4.027 4.111 4.175  
 1000  2.6449  1.324  0.9996  1.000 2.364 3.287 3.502 3.588 3.456 3.284 3.107  
46 SSa80(rvm) Sea Salt (accum), RH=80 (n@400=1.36 log-norm: r=.42um/sigma=2.0) 
  300  2.3054  1.457  1.0000  1.000 2.389 3.568 3.993 4.612 4.977 5.442 5.901  
  400  2.3997  1.457  1.0000  1.000 2.367 3.498 3.881 4.395 4.678 5.011 5.334  
  600  2.5625  1.457  1.0000  1.000 2.353 3.404 3.720 4.068 4.188 4.313 4.420  
 1000  2.6557  1.457  0.9997  1.000 2.374 3.329 3.579 3.705 3.615 3.479 3.334  
47 SSa90(rvm) Sea Salt (accum), RH=90 (n@400=1.35 log-norm: r=.50um/sigma=2.0) 
  300  2.2634  1.740  1.0000  1.000 2.423 3.640 4.121 4.759 5.193 5.694 6.222  
  400  2.3437  1.740  1.0000  1.000 2.396 3.571 4.012 4.568 4.926 5.317 5.717  
  600  2.4954  1.740  1.0000  1.000 2.373 3.471 3.843 4.253 4.458 4.662 4.853  
 1000  2.6519  1.740  0.9998  1.000 2.384 3.387 3.688 3.887 3.875 3.816 3.740  
48 SSa95(rvm) Sea Salt (accum), RH=95 (n@400=1.35 log-norm: r=.60um/sigma=2.0) 
  300  2.2247  2.119  1.0000  1.000 2.454 3.705 4.237 4.898 5.388 5.925 6.518  
  400  2.2881  2.119  1.0000  1.000 2.428 3.644 4.141 4.734 5.166 5.612 6.093  
  600  2.4211  2.119  1.0000  1.000 2.393 3.538 3.962 4.436 4.729 5.017 5.304  
 1000  2.6125  2.119  0.9998  1.000 2.390 3.440 3.787 4.064 4.140 4.174 4.187  
49 SSa99(rvm) Sea Salt (accum), RH=99 (n@400=1.34 log-norm: r=.99um/sigma=2.0) 
  300  2.1540  3.484  1.0000  1.000 2.518 3.828 4.455 5.141 5.742 6.338 7.067  
  400  2.1920  3.484  1.0000  1.000 2.497 3.790 4.399 5.052 5.620 6.162 6.806  
  600  2.2683  3.484  1.0000  1.000 2.455 3.700 4.248 4.841 5.318 5.769 6.271  
 1000  2.4312  3.484  0.9998  1.000 2.410 3.565 4.015 4.471 4.770 5.037 5.303  
50 SSc00(rvm) Sea Salt (coarse), RH=00 (n@400=1.50 log-norm: r=1.8um/sigma=2.0)
  300  2.1044  5.674  0.9995  1.000 2.411 3.610 3.964 4.970 5.369 6.477 7.058  
  400  2.1270  5.674  1.0000  1.000 2.399 3.592 3.941 4.926 5.304 6.354 6.926  
  600  2.1674  5.674  1.0000  1.000 2.372 3.544 3.872 4.823 5.158 6.119 6.644  
 1000  2.2422  5.674  0.9901  1.000 2.331 3.466 3.770 4.632 4.916 5.701 6.153  
51 SSc50(rvm) Sea Salt (coarse), RH=50 (n@400=1.38 log-norm: r=2.8um/sigma=2.0)
  300  2.0767  9.024  0.9998  1.000 2.547 3.870 4.492 5.262 5.886 6.637 7.545  
  400  2.0932  9.024  1.0000  1.000 2.543 3.867 4.496 5.245 5.870 6.583 7.456  
  600  2.1231  9.024  1.0000  1.000 2.525 3.836 4.449 5.182 5.783 6.455 7.262  
 1000  2.1768  9.024  0.9962  1.000 2.490 3.773 4.351 5.052 5.603 6.206 6.899  
52 SSc70(rvm) Sea Salt (coarse), RH=70 (n@400=1.37 log-norm: r=3.2um/sigma=2.0)
  300  2.0710 10.107  0.9999  1.000 2.563 3.901 4.555 5.300 5.955 6.677 7.597  
  400  2.0863 10.107  1.0000  1.000 2.560 3.900 4.564 5.290 5.949 6.635 7.519  
  600  2.1139 10.107  1.0000  1.000 2.544 3.873 4.524 5.237 5.875 6.526 7.347  
 1000  2.1631 10.107  0.9969  1.000 2.512 3.816 4.433 5.122 5.713 6.307 7.022  
53 SSc80(rvm) Sea Salt (coarse), RH=80 (n@400=1.36 log-norm: r=3.5um/sigma=2.0)
  300  2.0671 10.879  0.9999  1.000 2.573 3.920 4.597 5.326 6.002 6.706 7.631  
  400  2.0815 10.879  1.0000  1.000 2.571 3.921 4.609 5.322 6.001 6.673 7.562  
  600  2.1075 10.879  1.0000  1.000 2.557 3.898 4.575 5.276 5.937 6.577 7.406  
 1000  2.1534 10.879  0.9974  1.000 2.526 3.844 4.488 5.170 5.786 6.377 7.106  
54 SSc90(rvm) Sea Salt (coarse), RH=90 (n@400=1.35 log-norm: r=4.2um/sigma=2.0)
  300  2.0604 12.372  0.9999  1.000 2.586 3.946 4.651 5.363 6.063 6.750 7.681  
  400  2.0734 12.372  1.0000  1.000 2.586 3.950 4.668 5.366 6.072 6.729 7.626  
  600  2.0967 12.372  1.0000  1.000 2.574 3.932 4.642 5.332 6.023 6.653 7.496  
 1000  2.1377 12.372  0.9981  1.000 2.548 3.886 4.569 5.244 5.898 6.487 7.240  
55 SSc95(rvm) Sea Salt (coarse), RH=95 (n@400=1.34 log-norm: r=5.1um/sigma=2.0)
  300  2.0542 14.057  0.9999  1.000 2.597 3.967 4.694 5.395 6.113 6.788 7.724  
  400  2.0658 14.057  1.0000  1.000 2.598 3.973 4.716 5.405 6.130 6.778 7.681  
  600  2.0866 14.057  1.0000  1.000 2.589 3.960 4.699 5.380 6.096 6.720 7.574  
 1000  2.1230 14.057  0.9986  1.000 2.564 3.918 4.629 5.303 5.983 6.576 7.354  
56 SSc99(rvm) Sea Salt (coarse), RH=99 (n@400=1.34 log-norm: r=8.6um/sigma=2.0)
  300  2.0431 18.159  1.0000  1.000 2.611 3.992 4.743 5.433 6.171 6.839 7.788  
  400  2.0523 18.159  1.0000  1.000 2.614 4.002 4.773 5.454 6.201 6.846 7.764  
  600  2.0688 18.159  1.0000  1.000 2.609 3.997 4.770 5.447 6.190 6.816 7.695  
 1000  2.0973 18.159  0.9991  1.000 2.591 3.968 4.725 5.397 6.120 6.724 7.545  
C===this section not read!===alternate O(1D) yields===can replace above data   
OLD MJP Q'S								       
O3_1d X180     0.950     0.868     0.112     0.004       0.0       0.0       0.0
O3_1d X260     0.950     0.926     0.470     0.065       0.0       0.0       0.0
O3_1d X300     0.950     0.938     0.605     0.130       0.0       0.0       0.0
MICHELSEN Q'S								       
O3_1d M180     0.953     0.960     0.308     0.020     0.001       0.0       0.0
O3_1d M260     0.953     0.974     0.492     0.146     0.011       0.0       0.0
O3_1d M300     0.953     0.973     0.567     0.267     0.024       0.0       0.0
C====channel in Herzberg Contiuum to be added======(*caveat - not fully tested)=
photolysis in the Herzberg continuum:  198-209 nm is core, 195-212 nm covers all
J at top-of-atmosphere and X-sect for O2 and O3 (computing J at 12-14-16-18 km)
QO2: HerzC  8.15E-24							       
QO3: HerzC  4.40E-19							       
O2    Jtoa  1.67E-10							       
H1211 Jtoa  2.76E-05							       
H2402 Jtoa  2.75E-05							       
CCl4  Jtoa  1.31E-05 							       
F11   Jtoa  7.24E-06							       
H1301 Jtoa  2.82E-06							       
N2O   Jtoa  3.36E-07							       
================================================================================
			    Spare Stuff - all from JPL 1997			       
										   
	Note:  in code, assume that lower temperature is given first.	       
	Probably worth setting temperatures the same if only one x-section	       
										   
HONO   300       0.0       0.0 1.265E-20 3.469E-20 1.090E-19 8.644E-20 0.000E+00
HONO   300       0.0       0.0 1.265E-20 3.469E-20 1.090E-19 8.644E-20 0.000E+00
HCOCHO 298 9.701E-22 1.498E-21 8.257E-21 1.434E-21 2.078E-22 6.393E-22 3.277E-22
HCOCHO 298 9.701E-22 1.498E-21 8.257E-21 1.434E-21 2.078E-22 6.393E-22 3.277E-22
MeCOCHO298 2.381E-21 1.853E-21 1.296E-21 9.572E-22 3.327E-22 2.004E-21 4.255E-22
MeCOCHO298 2.381E-21 1.853E-21 1.296E-21 9.572E-22 3.327E-22 2.004E-21 4.255E-22
EtCOMe 298 1.432E-20 4.217E-21 1.150E-21 3.394E-22 4.706E-23       0.0       0.0
EtCOMe 298 1.432E-20 4.217E-21 1.150E-21 3.394E-22 4.706E-23       0.0       0.0
MeNO3  298 2.871E-20 1.080E-20 5.497E-21 3.460E-21 2.919E-22       0.0       0.0
MeNO3  298 2.871E-20 1.080E-20 5.497E-21 3.460E-21 2.919E-22       0.0       0.0
										   
ClONO2 200 3.707E-20 1.816E-20 1.084E-20 6.951E-21 3.040E-21 9.423E-22 6.852E-24
ClONO2 300 5.025E-20 2.610E-20 1.633E-20 1.079E-20 4.473E-21 1.204E-21 9.733E-24
Cl2    200 7.653E-20 1.387E-19 1.882E-19 2.283E-19 2.549E-19 6.209E-20 6.456E-22
Cl2    300 8.191E-20 1.403E-19 1.851E-19 2.204E-19 2.436E-19 6.467E-20 6.806E-22
HOCl   300 5.573E-20 6.018E-20 5.862E-20 5.304E-20 3.178E-20 5.051E-21 0.000E+00
HOCl   300 5.573E-20 6.018E-20 5.862E-20 5.304E-20 3.178E-20 5.051E-21 0.000E+00
OClO   204 1.145E-18 1.946E-18 2.806E-18 3.170E-18 4.798E-18 3.213E-18 4.112E-20
OClO   298 1.046E-18 1.664E-18 2.319E-18 2.925E-18 4.599E-18 3.407E-18 3.925E-20
Cl2O2  230 9.769E-19 6.254E-19 4.331E-19 3.064E-19 1.572E-19 2.698E-20 1.615E-22
Cl2O2  230 9.769E-19 6.254E-19 4.331E-19 3.064E-19 1.572E-19 2.698E-20 1.615E-22
ClO    300 1.324E-18 4.496E-19 1.499E-19 5.197E-20 2.410E-21 0.000E+00 0.000E+00
ClO    300 1.324E-18 4.496E-19 1.499E-19 5.197E-20 2.410E-21 0.000E+00 0.000E+00
BrO    300 0.000E+00 1.932E-18 3.681E-18 4.221E-18 6.179E-18 6.431E-19 0.000E+00
BrO    300 0.000E+00 1.932E-18 3.681E-18 4.221E-18 6.179E-18 6.431E-19 0.000E+00
BrONO2 300 2.042E-19 1.575E-19 1.311E-19 1.134E-19 8.127E-20 3.397E-20 1.286E-21
BrONO2 300 2.042E-19 1.575E-19 1.311E-19 1.134E-19 8.127E-20 3.397E-20 1.286E-21
HOBr   300 2.604E-19 1.837E-19 1.390E-19 1.159E-19 1.137E-19 6.710E-20 1.146E-21
HOBr   300 2.604E-19 1.837E-19 1.390E-19 1.159E-19 1.137E-19 6.710E-20 1.146E-21
CHBr3  210 9.247E-21 1.877E-21 5.752E-22 2.123E-22 2.564E-23 9.540E-25 0.000E+00
CHBr3  300 1.928E-20 5.034E-21 1.819E-21 7.631E-22 1.072E-22 9.540E-25 0.000E+00
CF3I   210 1.297E-19 4.093E-20 1.624E-20 7.639E-21 1.297E-21 0.000E+00 0.000E+00
CF3I   300 1.748E-19 6.652E-20 2.985E-20 1.476E-20 2.625E-21 0.000E+00 0.000E+00
(and from Calvert 1967:							       
 CH3I  300 4.194E-20 8.986E-21 4.210E-21 2.035E-21 2.943E-22 1.193E-24 0.000E+00
 CH3I  300 4.194E-20 8.986E-21 4.210E-21 2.035E-21 2.943E-22 1.193E-24 0.000E+00
)									       
# To shut off Rayleigh scattering					       
Raylay cm2  0.00E+00  0.00E+00  0.00E+00  0.00E+00  0.00E+00  0.00E+00  0.00E+00
# To turn on Rayleigh scattering					       
Raylay cm2  6.18E-26  5.43E-26  4.92E-26  4.54E-26  3.63E-26  2.09E-26  3.83E-27
# Original cross section						       
O3     180 8.693E-19 2.365E-19 8.722E-20 3.694E-20 4.295E-21 1.804E-23 1.630E-21
O3     260 9.189E-19 2.571E-19 9.673E-20 4.141E-20 5.457E-21 2.775E-23 1.630E-21
O3     300 9.574E-19 2.777E-19 1.075E-19 4.725E-20 6.782E-21 4.824E-23 1.630E-21
# Original quantum yield						       
O3_1d  180 9.500E-01 9.303E-01 3.089E-01 2.293E-02 8.747E-04       0.0       0.0
O3_1d  260 9.500E-01 9.366E-01 4.618E-01 1.380E-01 9.857E-03       0.0       0.0
O3_1d  300 9.500E-01 9.387E-01 5.385E-01 2.524E-01 2.138E-02       0.0       0.0
# JPL 1997, replaced by Mat Evans 4/16/2002 for GEOS–CHEM version 4.32	       
O3_1d  180 9.500E-01 9.303E-01 3.089E-01 2.293E-02 8.747E-04       0.0       0.0
O3_1d  260 9.500E-01 9.366E-01 4.618E-01 1.380E-01 9.857E-03       0.0       0.0
O3_1d  300 9.500E-01 9.387E-01 5.385E-01 2.524E-01 2.138E-02       0.0       0.0


5.4 Output Files (created in the user's local run directory)

Here follows a list of the files that GEOS–CHEM will create in the user's run directory. Some files include a [YY]YYMMDD date string as part of the file name.

Simulations using GEOS–1 or GEOS–STRAT meteorological data will generate a 6-digit YYMMDD date stamp (e.g. 940101). This is OK, since neither GEOS–1 or GEOS–STRAT straddles the 1999/2000 millennium boundary.

Simulations using GEOS–3 or GEOS–4 meteorological data will generate an 8-digit YYYYMMDD date stamp (e.g. 20010101). This is required to be Y2K compliant, as GEOS–3 data is available for the time period after January 1, 2000.

ts[YY]YYMMDD.bpch Output file from diag49 (high-resolution time series, also known as movie diagnostics) for the date [YY]YYMMDD.
ts24h.bpch Output file from ND50 diagnostic (high-resolution time series for 24 hour average concentrations, aka "movie diagnostics").
gctm.trc.[YY]YYMMDD Restart file for year/month/date [YY]YYMMDD. Saves instantaneous concentrations of all tracers on all levels for continuation of the run at a later stage.
ctm.ts ND48 station time series output in ASCII format. There is no corresponding binary version. This format may soon be replaced with the upcoming plane flight track diagnostics.
ctm.bpch Binary punch file output. This is the standard output format which interacts smoothly with the IDL GAMAP package for analysis and plotting of your results.
smv2.log Echo-back of input from SMVGEAR II. Check this file to see if SMVGEAR read the "globchem.dat" file properly. This file will also contain information about reactions and species used by the ND65 prod-loss diagnostic. (This file is only produced when SMVGEAR is used, i.e. for full NOx-Ox-hydrocarbon chemistry only.)
plane.log ASCII output from the ND40 planeflight diagnostic, scheduled via the Planeflight.dat file (see above).

The standard practice is to redirect GEOS–CHEM output to a file named log or geos.log or something similar. This log file will contain the standard output from the model run, as well as any warnings or error messages. This log file can be checked periodically to indicate the run status. See Section 6: Running GEOS–CHEM.

You may also want to use Bob Yantosca's TESTRUN package, which simplfies compiling and running the GEOS–CHEM model.


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