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|
>> COPY StartOrb aniso.input
&SINGLE_ANISO
Restart
2 aniso.input
MLTP
1
2
TINT
0 301 31
HINT
0 100 21
TMAG
9 0.1 0.6 0.9 2.4 3.6 10.0 20.0 40.0 100.0
ZJPR
-0.02
End of Input
****
>> FILE StartOrb
1 2
0.00000000000000E+00 0.00000000000000E+00
2
0.00000000000000E+00 0.00000000000000E+00 -1.00115965218590E+00 0.00000000000000E+00
-1.00115965218590E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 -1.00115965218590E+00
0.00000000000000E+00 1.00115965218590E+00 0.00000000000000E+00 0.00000000000000E+00
1.00115965218590E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -1.00115965218590E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 5.00000000000000E-01 0.00000000000000E+00
5.00000000000000E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 5.00000000000000E-01
0.00000000000000E+00 -5.00000000000000E-01 0.00000000000000E+00 0.00000000000000E+00
-5.00000000000000E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 5.00000000000000E-01 0.00000000000000E+00
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1.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
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0.00000000000000E+00
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0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00
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0.00000000000000E+00 0.00000000000000E+00 -0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
>> EOF
>>FILE checkfile
* This file is autogenerated:
* Molcas version 21.10-842-g5cd5b97d2
* Darwin Livius-MacBook-Pro.local 20.6.0 Darwin Kernel Version 20.6.0: Wed Nov 10 22:23:07 PST 2021; root:xnu-7195.141.14~1/RELEASE_X86_64 x86_64
* Wed Jan 26 11:24:05 2022
*
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#> MAGN_AVERAGED[150]="0.247246934817"/5
#> MAGN_AVERAGED[151]="0.324484617036"/5
#> MAGN_AVERAGED[152]="0.397634919571"/5
#> MAGN_AVERAGED[153]="0.466069574043"/5
#> MAGN_AVERAGED[154]="0.529361812287"/5
#> MAGN_AVERAGED[155]="0.587279581855"/5
#> MAGN_AVERAGED[156]="0.639766363745"/5
#> MAGN_AVERAGED[157]="0.686913901457"/5
#> MAGN_AVERAGED[158]="0.728931086691"/5
#> MAGN_AVERAGED[159]="0.766112580890"/5
#> MAGN_AVERAGED[160]="0.798809785157"/5
#> MAGN_AVERAGED[161]="0.827405762450"/5
#> MAGN_AVERAGED[162]="0.852294838305"/5
#> MAGN_AVERAGED[163]="0.873866942351"/5
#> MAGN_AVERAGED[164]="0.892496316093"/5
#> MAGN_AVERAGED[165]="0.908533973345"/5
#> MAGN_AVERAGED[166]="0.922303210751"/5
#> MAGN_AVERAGED[167]="0.934097477617"/5
#> MAGN_AVERAGED[168]="0.000000673260"/5
#> MAGN_AVERAGED[169]="0.033650299653"/5
#> MAGN_AVERAGED[170]="0.067224655563"/5
#> MAGN_AVERAGED[171]="0.100647807998"/5
#> MAGN_AVERAGED[172]="0.133845852204"/5
#> MAGN_AVERAGED[173]="0.166746883693"/5
#> MAGN_AVERAGED[174]="0.199281606061"/5
#> MAGN_AVERAGED[175]="0.231383890746"/5
#> MAGN_AVERAGED[176]="0.262991279600"/5
#> MAGN_AVERAGED[177]="0.294045422948"/5
#> MAGN_AVERAGED[178]="0.324492447619"/5
#> MAGN_AVERAGED[179]="0.354283251477"/5
#> MAGN_AVERAGED[180]="0.383373722899"/5
#> MAGN_AVERAGED[181]="0.411724885523"/5
#> MAGN_AVERAGED[182]="0.439302970369"/5
#> MAGN_AVERAGED[183]="0.466079418919"/5
#> MAGN_AVERAGED[184]="0.492030822081"/5
#> MAGN_AVERAGED[185]="0.517138800986"/5
#> MAGN_AVERAGED[186]="0.541389836330"/5
#> MAGN_AVERAGED[187]="0.564775053487"/5
#> MAGN_AVERAGED[188]="0.587289970847"/5
>>EOF
|
