[Pw_forum] Quantum ESPRESSO Output
Ian Dunn
iansdunn at gmail.com
Mon Jun 20 03:23:26 CEST 2016
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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