[QE-users] Regarding query on DOS/Bands calculation
BINOY CHANDRA DEY
22cy05014 at iitbbs.ac.in
Tue Sep 24 17:44:36 CEST 2024
Can I do DOS/Bands/Optical calculation directly after scf calculation if I
choose dense grid like 10×10×10 or it is mandatory to do the nscf and then
go for DOS/bands/optical?...Pls reply.
BINOY
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