| 1:34:46 PM PDT - Mon, Aug 29th 2016 |
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| Thanks, Sean. It looks like with this setting and http://cclib.github.io i can parse terminal output to get all eigenvectors and the correspondence between the basis and the coefficients. I assume that the numbering correspond to the order of atoms. So first X coefficients are for all X AOs of 1st atom, then next Y coefficients are for all Y AOs of 2nd atom, while the order of coefficients for a single atom are listed here http://nwchemgit.github.io/index.php/Release66:Basis ,i.e. s px py pz ...
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