Access DFT solution coefficients for LCAO from python


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Just Got Here
12:09:52 PM PDT - Mon, Aug 29th 2016
You can print eigenvalues and eigenvectors in output-file using
Quote:
print high
or
Quote:
print "final evals" "final vectors"
in DFT block. I suppose that occupation numbers also will be written in this case.

See more information here

But I am not sure that all eigenvalues and eigenvectors are printed and not only the highest ones lying above some energetic threshold. This has to be checked.