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Re^2: New questions on spin-orbit coupling constant

Pedro Silva
pedros@ufp.pt


>>However, I found that the result was the same as that from the job with only MOs
>>in $VEC1. This fact shows that MOs in $VEC2 are not used. What is wrong with
>>the attached file? Or, actually,are MOs in $VEC2 not used?

Set $TRANSTN NUMVEC=2 $end in order to read two sets of MOs.

Pedro

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