Summary of the input options

The program recognizes the following input keys:

CLGEPR
 Nuclei   [ALL|n ...]
 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]|None]
    XCCutOff      n
    KinCorrection [On|Off]
 SubEnd
END
SICOEP
   READV filename
END
MAXMEMORYUSAGE nnn

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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