write a molden file for caspt2 or mrci calculation


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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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if B is 1s22s22p1, what is Li?

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