c======================================================================
Sample Instruction Input files for program dPotFit16, as described and
discussed in Appendices D and E of the Supplementary Material file
c======================================================================
20 20 0 1 1 -1 -2 % AN(1) AN(2) CHARGE NISTP NSTATES LPRINT PRINP
'../Ca2_X_FS.4' % Name of PotFit input data file
'N7q6rr5_55' % Writefile
40 40 % MN1(1) MN2(1)
1.d0 1 -0 0 25 0 % UCUTOFF NOWIDTHS IROUND ROBUST CYCMAX uBv
'X0' 0 0 38 300 0 %(1) SLABL IOMEG VMIN VMAX JTRUNC EFSEL
2 0.d0 0 0 20 % PSEL VLIM MAXMIN BOBCN OSEL
3.00 99.0 0.0005d0 % RMIN RMAX RH
3 -1.0000d0 -1 1 % NCMM rhoAB IDF IDSTT
6 1.04600000D+07 0 % MMLR CMVAL IFXCm
8 3.06080000D+08 1
10 8.34400000D+09 1
1.102080000000D+03 0
4.277820000000D+00 0
7 0 3 5 5.55D+00 % NSpow NLpow nPB nQB RREF
-1.4672501 0
-0.20012 0
-0.72633 0
0.1229 0
-0.2763 0
0.506 0
0.357 0
1.022 0
-4 -4 3 3 0 % nuA nuB pAD qAD LRad
-4 -4 3 3 % nTA nTB pNA qNA
12 1 0 6 4 4 0 %% AN1 AN2 CHARGE NISTP NSTATES LPRINT PRINP
'../data_MgHD_2012-01-27.4' % name of input data file
'tst16_541rref2_74' % WRITEFILE
24 1 % MN1 MN2
25 1
26 1
24 2 % MN1 MN2
25 2
26 2
0.5 1 0 0 30 0 % UCUTOFF NOWIDTHS IROUND ROBUST CYCMAX uBv
'X0' -1 0 -11 99 0 % SLABL IOMEG VMAX JTRUNC EFSEL
11 10 10 15 11 11
2 0.000 1 0 20 % PSEL VLIM MAXMIN BOBCN OSEL
0.60 99.50 0.0025 % RMIN RMAX RH
3 0.81 -2 1 % NCMM rhoAB IDF IDSTT
6 2.77550000D+05 1 % MMLR, CmVAL, IFXCm
8 3.45490000D+06 1 % MMLR, CmVAL, IFXCm
10 4.61400000D+07 1 % MMLR, CmVAL, IFXCm
1.110424552401D+04 0 % De IFXDe
1.729685380181D+00 0 % Re IFXRe
12 -1 4 5 2.74d0 % Nbeta APSE nQB nB RREF
1.170476601132D+00 0 % BETA 0 IFXBETA 0
1.080170651332D+00 0 % BETA 1 IFXBETA 1
2.673340658164D+00 0 % BETA 2 IFXBETA 2
2.483625825973D+00 0 % BETA 3 IFXBETA 3
7.400354782870D-01 0 % BETA 4 IFXBETA 4
1.921267534841D-01 0 % BETA 5 IFXBETA 5
6.071160601044D-01 0 % BETA 6 IFXBETA 6
-2.486057829458D+00 0 % BETA 7 IFXBETA 7
-7.676067408675D+00 0 % BETA 8 IFXBETA 8
-5.742858200526D+00 0 % BETA 9 IFXBETA 9
2.850001493731D+00 0 % BETA10 IFXBETA10
6.076990710549D+00 0 % BETA11 IFXBETA11
2.409626277526D+00 0 % BETA12 IFXBETA12
3 13 4 6 0 % NUA NUB qAD pAD LRad
1.300728351881D+00 0 % UA 0 IFXUA 0
4.148196460337D+00 0 % UA 1 IFXUA 1
2.612257669548D+00 0 % UA 2 IFXUA 2
4.341067654483D+00 0 % UA 3 IFXUA 3
0.000000000000D+00 1 % uAinf IFXuAinf
-1.517859106465D+01 0 % UB 0 IFXUB 0
3.753517600616D+01 0 % UB 1 IFXUB 1
-1.153600397884D+01 0 % UB 2 IFXUB 2
3.213195588821D+01 0 % UB 3 IFXUB 3
5.866458845349D+01 0 % UB 4 IFXUB 4
2.347347913310D+02 0 % UB 5 IFXUB 5
-1.543302677803D+03 0 % UB 6 IFXUB 6
-2.076874526486D+03 0 % UB 7 IFXUB 7
1.249385587088D+04 0 % UB 8 IFXUB 8
5.664228044773D+03 0 % UB 9 IFXUB 9
-4.993237165924D+04 0 % UB10 IFXUB10
1.007715179054D+04 0 % UB11 IFXUB11
7.172546964411D+04 0 % UB12 IFXUB12
-4.723470281067D+04 0 % UB13 IFXUB13
0.000000000000D+00 1 % uBinf IFXUBinf
-3 7 4 4 0 % NTA NTB qNA pNA
0.000000000000D+00 1 % TB 0 IFXTB 0
7.250023689953D-04 0 % TB 1 IFXTB 1
2.862180763657D-04 0 % TB 2 IFXTB 2
9.395028124006D-04 0 % TB 3 IFXTB 3
2.804097571256D-03 0 % TB 4 IFXTB 4
-1.917529464250D-03 0 % TB 5 IFXTB 5
-6.715122481617D-03 0 % TB 6 IFXTB 6
2.263936298448D-02 0 % TB 7 IFXTB 7
0.000000000000D+00 1 % tBinf IFXTBinf
3 4 0 % NwCFT Pqw efREF
4.619303623412D-03 0 % wCFT 0 IFXwCFT 0
-3.135099829025D-03 0 % wCFT 1 IFXwCFT 1
2.688086629368D-04 0 % wCFT 2 IFXwCFT 2
-4.537525776361D-03 0 % wCFT 3 IFXwCFT 3
'A1' 0 0 99 99 0 % SLABL IOMEG VMAX JRUNC EFSEL
-2 0.1 1 0 20 % PSEL VLIM MAXMIN BOBCN OSEL
'A2' 0 0 99 99 0 % SLABL IOMEG VMAX JRUNC EFSEL
-2 0.1 1 0 20 % PSEL VLIM MAXMIN BOBCN OSEL
'B0' 0 0 99 99 0 % SLABL IOMEG VMAX JRUNC EFSEL
-2 0.1 1 0 20 % PSEL VLIM MAXMIN BOBCN OSEL