Please revise the last question in my previous email to read: "Also, are the wave functions outputted here the Bloch eigenstates of the noninteracting Schrodinger equation, or are they Kohn-Sham eigenstates?" Thanks!
Regards, Ian Dunn Columbia University On Sun, Jun 19, 2016 at 6:23 PM Ian Dunn <[email protected]> wrote: > To Whom It May Concern: > > For a generic band structure calculation, I'd like to know the > eigenfunctions at several k points. When I set wf_collect=.true. I believe > this information is printed in the K* directories in the files evc.dat and > gkvectors.dat. Is there a manual anywhere on how to interpret these output > files? Also, are the wave functions outputted here the Bloch eigenstates > of the many-body Schrodinger equation, or are they Kohn-Sham eigenstates? > Thanks so much! > > Regards, > Ian >
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