Posted by José Jara on November 02, 2013 at 12:12:38:
Is there is a way to write a molden file for an output of a caspt2 or mrci calculation?
Or in a better case, there is a way to write a wfn file from a output of molcas??
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Subject:
if B is 1s22s22p1, what is Li?
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Comments: : Is there is a way to write a molden file for an output of a caspt2 or mrci calculation? : Or in a better case, there is a way to write a wfn file from a output of molcas??