2.2 ASCII Format

(This is quoted by FAC 1.1.1 Manual.pp36-43)

FAC provides functions to convert the binary output to ASCII files. There are two types of ASCII formats, a simple translation of binary files and a more verbose version that adds more derived information for the sake of convenience. If the ASCII files are created to be human-readable, the verbose form should be used. In the simple form, the contents of binary files are converted to ASCII format as is. No additional information is added. All physical values are in atomic units as is in binary files. The different byte-order used by different platforms are taken into account automatically. Therefore, it is possible to create the binary files on a little endian machine (probably faster), then convert them to ASCII format on a slower big endian machine.

In the verbose form, the more common units of physical quanties are used. Specifically, s−1 for transition rates, 10−20 cm2 for cross sections, and eV for energies. For data files other than DB EN type, the energies and angular momenta of the levels involved in the processes are not included in the binary version. In the verbose form of corresponding ASCII files, these infomations are added by looking up in the energy level table. Also, for DB TR files, not only matrix elements, but also gf values and radiative transition rates are tabulated. For DB CE and DB CI, cross sections are tabulated along with the collision strengths. For DB RR, radiative recombination and photionization cross sections are tabulated along with the bound-free differential gf values. For DB AI, the energy integrated dielectronic capture strengths (in unit of 10−20 eV cm2) are tabulated in addition to the autoionization rates.

In the following sections, a portion of each type of database file in the verbose form is listed and significant fields explained. The lines start with a # are the added explanation, which are not part of the output file.

These files are generated with the scripts in the demo/ directory come with FAC.

2.2.1 DB EN

# version numbers

FAC 1.0.4

# binary order used in the binary file

Endian = 0

# time stamp when the file was created.

TSess = 1020438482

# database type

Type = 1

# this file is in verbose form

Verbose = 1

# atomic symbol and atomic number

Fe Z = 26.0

# number of data blocks in this file

NBlocks = 1

# the index and the absolute energy of the ground state

E0 = 0, -3.12494784E+04

# data block begins

# number of electron for the states in this block

NELE = 10

# number of levels in this block

NLEV = 37

ILEV IBASE ENERGY P VNL 2J

0 -1 0.00000000E+00 0 201 0 1*2 2*8 2p6 2p+4(0)0

1 -1 7.23810448E+02 1 300 4 1*2 2*7 3*1 2p5 3s1 2p+3(3)3 3s+1(1)4

2 -1 7.25859655E+02 1 300 2 1*2 2*7 3*1 2p5 3s1 2p+3(3)3 3s+1(1)2

3 -1 7.36414516E+02 1 300 0 1*2 2*7 3*1 2p5 3s1 2p-1(1)1 3s+1(1)0

4 -1 7.37736604E+02 1 300 2 1*2 2*7 3*1 2p5 3s1 2p-1(1)1 3s+1(1)2

5 -1 7.54149163E+02 0 301 2 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p-1(1)2

6 -1 7.57788593E+02 0 301 4 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p-1(1)4

7 -1 7.59341459E+02 0 301 6 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)6

8 -1 7.60552577E+02 0 301 2 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)2

9 -1 7.62361512E+02 0 301 4 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)4

10 -1 7.67999430E+02 0 301 0 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)0

......

The column labels by VNL is 100 x n + l, where n and l are the principle and orbital angular quantum

numbers of the valence electron.

2.2.2 DB TR

FAC 1.0.7

Endian = 0

TSess = 1021577025

Type = 2

Verbose = 1

Fe Z = 26.0

NBlocks = 1

# the data block begins

NELE = 10

# number of transitions in this block

NTRANS = 7

# multipole type of the transition

Multip = -1

# gauge used in the calculation

Gauge = 2

# mode used in the radial integral

Mode = 1

#upper 2J lower 2J Delta E gf TR rate(1/s) multipole

2 2 0 0 7.2587E+02 1.130597E-01 8.616084E+11 1.127617E-01

4 2 0 0 7.3774E+02 9.944485E-02 7.828559E+11 1.048997E-01

16 2 0 0 8.0114E+02 9.438239E-03 8.761793E+10 -3.101188E-02

22 2 0 0 8.1133E+02 6.221187E-01 5.923155E+12 -2.501928E-01

26 2 0 0 8.2527E+02 2.493449E+00 2.456309E+13 4.966355E-01

30 2 0 0 8.9415E+02 3.203146E-02 3.704097E+11 5.407792E-02

32 2 0 0 8.9844E+02 2.652003E-01 3.096259E+12 -1.552313E-01

After version 1.0.8, if the UTA mode is used, the output contains an additional column after the transition energy, which is the Gaussian standard deviation of the UTA transition. The 2J values in this case are also redefined to be the statistical weight of the configuraiton minus 1.

2.2.3 DB CE

FAC 0.7.9

Endian = 0

TSess = 1021577097

Type = 3

Verbose = 1

Fe Z = 26.0

NBlocks = 1

# data blocks begin

NELE = 10

NTRANS = 36

# mode used in the radial integral

QKMODE = 0

# number of parameters in the fitting formula (only if QKMODE = 2)

NPARAMS = 0

# 0 for total collision strength. 1 for magnetic sublevel.

MSUB = 0

# partial wave summation mode. always 0.

PWTYPE = 0

# number of points in the transition energy grid, followed by the grid

NTEGRID = 2

7.24352072E+02

9.45773957E+02

# characteristic transition energy used in grid construction.

TE0 = 9.44829120E+02

# energy grid type.

ETYPE = 1

# energy grid

NEGRID = 6

4.72414560E+01

5.79761386E+02

1.39812537E+03

2.65576771E+03

4.58848260E+03

7.55863296E+03

# user energy grid type and the user grid.

UTYPE = 1

NUSR = 6

4.72414560E+01

5.79761386E+02

1.39812537E+03

2.65576771E+03

4.58848260E+03

7.55863296E+03

#lower 2J upper 2J Delta E nsub

0 0 1 4 7.2435E+02 1

#The Bethe coefficient and 2 Born coefficients in the Born approximation.

-1.0000E+00 0.0000E+00 0.0000E+00

# if QKMODE = 2, the parameter line is present here.

#user egrid coll. str. cross sec.

4.7241E+01 1.5347E-03 2.3789E-01

5.7976E+02 9.5137E-04 8.7207E-02

1.3981E+03 5.1906E-04 2.9211E-02

2.6558E+03 2.5016E-04 8.8294E-03

4.5885E+03 1.1322E-04 2.5376E-03

7.5586E+03 5.1291E-05 7.3523E-04

0 0 2 2 7.2639E+02 1

9.1750E-03 -7.0392E-03 7.2655E-03

4.7241E+01 1.8857E-03 2.9153E-01

5.7976E+02 3.7280E-03 3.4119E-01

1.3981E+03 6.3378E-03 3.5633E-01

2.6558E+03 9.4893E-03 3.3472E-01

4.5885E+03 1.2996E-02 2.9116E-01

7.5586E+03 1.6729E-02 2.3974E-01

......

If MSUB = 1, then the data for each transition contains nsub blocks, representing several mi -> mf transitions.

Before each block, the ratio of the magnetic sublevel collision strengths to the total collision strength at high energy limit is given. Due to the time reversal symmetry, the cross section for −mi -> −mf is the same as that for mi -> mj , only the cross sections with mi  0 are tabulated in the order −Ji -> −Jf , −Ji -> −Jf+1, . . . , −Ji -> Jf , −Ji + 1 -> −Jf , −Ji + 1 -> −Jf + 1, . . . , −Ji + 1 -> Jf , . . ..

2.2.4 DB RR

FAC 0.7.3

Endian = 0

TSess = 1021577047

Type = 4

Verbose = 1

Fe Z = 26.0

NBlocks = 1

# the data blocks begin

NELE = 3

NTRANS = 3

QKMODE = 2

# multipole type

MULTIP = -1

# number of parameters in the fitting formula

NPARAMS = 4

NTEGRID = 1

2.01377924E+03

ETYPE = 1

NEGRID = 6

1.00688962E+02

1.23568529E+03

2.97992069E+03

5.66042025E+03

9.77974833E+03

1.61102339E+04

UTYPE = 1

NUSR = 6

1.00688962E+02

1.23568529E+03

2.97992069E+03

5.66042025E+03

9.77974833E+03

1.61102339E+04

#bound 2J free 2J Delta E L

7 1 0 0 2.0465E+03 0

# the parameters in the fitting formula

3.8124E-02 4.9724E+00 1.2195E+00 2.1768E+03

#user egrid RR cross sec. PI cross sec. gf

1.0069E+02 1.7567E-01 1.9604E+00 3.0537E-02

1.2357E+03 1.4375E-02 8.4255E-01 1.3124E-02

2.9799E+03 5.5123E-03 3.3223E-01 5.1751E-03

5.6604E+03 2.4847E-03 1.2100E-01 1.8848E-03

9.7797E+03 1.1476E-03 4.1004E-02 6.3872E-04

1.6110E+04 5.2175E-04 1.3029E-02 2.0295E-04

8 1 0 0 1.9975E+03 1

3.4223E-02 5.3145E+00 1.2206E+00 2.1537E+03

1.0069E+02 1.5214E-01 1.7781E+00 2.7697E-02

1.2357E+03 8.4472E-03 5.1024E-01 7.9480E-03

2.9799E+03 2.1814E-03 1.3407E-01 2.0885E-03

5.6604E+03 6.5910E-04 3.2509E-02 5.0639E-04

9.7797E+03 2.0448E-04 7.3672E-03 1.1476E-04

1.6110E+04 6.2231E-05 1.5624E-03 2.4338E-05

9 3 0 0 1.9810E+03 1

6.9754E-02 5.1620E+00 1.2206E+00 2.1350E+03

1.0069E+02 2.9691E-01 1.7625E+00 5.4910E-02

1.2357E+03 1.6320E-02 4.9796E-01 1.5513E-02

2.9799E+03 4.1721E-03 1.2907E-01 4.0209E-03

5.6604E+03 1.2475E-03 3.0899E-02 9.6262E-04

9.7797E+03 3.8274E-04 6.9143E-03 2.1541E-04

1.6110E+04 1.1506E-04 1.4471E-03 4.5081E-05

2.2.5 DB AI

FAC 0.7.3

Endian = 0

TSess = 1021577153

Type = 5

Verbose = 1

Se Z = 34.0

NBlocks = 1

# data blocks begin

NELE = 10

# number of transitions

NTRANS = 92

# channel number (no physical meaning)

CHANNE = 0

# free electron energy grid

NEGRID = 2

3.43213508E+02

5.58605513E+02

#bound 2J free 2J Delta E AI rate DC strength

2 4 0 3 3.8679E+02 1.3705E+13 1.0962E+01

2 4 1 1 3.4322E+02 1.6996E+11 3.0642E-01

3 0 0 3 4.0594E+02 1.2973E+13 1.9775E+00

3 0 1 1 3.6236E+02 7.9903E+11 2.7289E-01

4 4 0 3 4.1845E+02 2.3652E+11 1.7487E-01

4 4 1 1 3.7487E+02 2.2905E+09 3.7807E-03

......

2.2.6 DB CI

FAC 0.7.3

Endian = 0

TSess = 1021577194

Type = 6

Verbose = 1

Fe Z = 26.0

NBlocks = 1

# data blocks begin

NELE = 10

NTRANS = 3

QKMODE = 5

NPARAMS = 4

PWTYPE = 0

NTEGRID = 2

1.26072567E+03

1.39546596E+03

ETYPE = 1

NEGRID = 6

6.64047908E+01

8.14939607E+02

1.96527014E+03

3.73307079E+03

6.44978485E+03

1.06247665E+04

UTYPE = 1

NUSR = 8

5.00000000E+02

9.00000000E+02

1.30000000E+03

1.70000000E+03

2.10000000E+03

4.20000000E+03

6.00000000E+03

8.00000000E+03

# bound 2J free 2J Delta E L

0 0 1 3 1.2607E+03 1

# parameters in the fitting formula

1.2549E-01 6.7308E-01 -5.4651E-01 7.2856E-01

#user egrid coll. str. cross sec.

5.0000E+02 9.0588E-02 1.9535E+00

9.0000E+02 1.5721E-01 2.7605E+00

1.3000E+03 2.1672E-01 3.2084E+00

1.7000E+03 2.6991E-01 3.4532E+00

2.1000E+03 3.1773E-01 3.5785E+00

4.2000E+03 5.0773E-01 3.5050E+00

6.0000E+03 6.1976E-01 3.2065E+00

8.0000E+03 7.1292E-01 2.8808E+00

0 0 2 1 1.2737E+03 1

6.3179E-02 3.3088E-01 -2.6847E-01 3.5591E-01

5.0000E+02 4.4336E-02 9.4904E-01

9.0000E+02 7.7083E-02 1.3454E+00

1.3000E+03 1.0639E-01 1.5671E+00

1.7000E+03 1.3263E-01 1.6894E+00

2.1000E+03 1.5624E-01 1.7529E+00

4.2000E+03 2.5023E-01 1.7233E+00

6.0000E+03 3.0577E-01 1.5791E+00

8.0000E+03 3.5203E-01 1.4205E+00

0 0 3 1 1.3955E+03 0

5.7526E-02 2.8628E-01 -2.4531E-01 3.1267E-01

5.0000E+02 3.4409E-02 6.8908E-01

9.0000E+02 6.0280E-02 9.9604E-01

1.3000E+03 8.4082E-02 1.1823E+00

1.7000E+03 1.0585E-01 1.2950E+00

2.1000E+03 1.2576E-01 1.3615E+00

4.2000E+03 2.0705E-01 1.3946E+00

6.0000E+03 2.5609E-01 1.3005E+00

8.0000E+03 2.9733E-01 1.1840E+0