I am having problems including ZORA effects in multiplet state
If my AOC and slaterdeterminant calculations are nonrelativistic I get
the energies of the different determinants ok.
If the AOC calculation is relativistic and the slaterdeterminant
calculation is given the relativistic and corepotential keys then I get
the error message;
"kfopvr: Attempt to open unknown variable : qscal_A
WARNING: not all scratch files were closed"
Do I need to alter the way the Slaterdeterminant calculation accesses
the tape12 file?
Any pointers would be much appreciated.
Received on 2002-09-10 14:41:31
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