Access DFT solution coefficients for LCAO from python
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6:23:12 AM PDT - Mon, Aug 29th 2016
Quote:Edoapra
Aug 24th 8:46 pm
Denis, I am guessing what you are looking for are the eigenvalues, eigenvectors and occupation numbers, right?
sorry to bother, but did you have a chance to check RunTimeDataBase (or other DB) for eigenvectors and occupation numbers?