[QE-users] [wfc*.dat files after scf calculations]

박기명 knppkm at naver.com
Fri Dec 19 07:16:15 CET 2025


Dear users,

When are the wfc*.dat files produced in an SCF calculation used?
NSCF reads charge-density.dat, and post-processing tools (e.g., bands.x, projwfc.x ... ) read the ~.xml.
In what situations are wfc*.dat strictly necessary?

Or am I misunderstanding something?

Best regards,
GiMyung Park
Yonsei University
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