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.
