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Summary of the input options
The program recognizes the following input keys:
CLGEPR
Nuclei [ALL|n ...]
Atoms [...]
Ghosts
x1 y1 z1
[...]
Subend
CalcVirtDia (CALCV)
NoParamagneticShielding (NOPARA)
Output
Size [Minimal|Small|Large|Debug|Bigdebug]
EprSize [Minimal|Small|Large|Debug|Bigdebug]
Criteria psmal
Format [F|D]
PrincipalAxisRep [Print|Noprint]
AntisymmetricTensors
PrintMat {B1, SF, COEF}
SumUpOccVir
RelativisticShielding [Print|Noprint]
Subend
MixOccupations / NoMixOccupations (MIXOCC / NOMIXOCC)
MagnSusceptibility (MAGNSUSC)
EprGTensor
EPRXC [X-Alpha [par]]
XCCutOff n
KinCorrection [On|Off]
SOO
SubEnd
END
SICOEP
READV filename
END
Not all combinations of the input parameters and SCF options
(used to create TAPE21) are allowed, or required. See below for the detailed
description. Additional keys and subkeys may be recognized, but are not
intended for general use.
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