[Pw_forum] A possible bug in epsilon.f90

Jia Chen jiachenchem at gmail.com
Mon Feb 6 22:27:40 CET 2017


Dear All,

I am suspicious that a bud exit in epsilon.f90 qe-6.0. The check of nbnd:
=======================================================
IF ( REAL(nbnd,DP)*full_occ <= nelec ) CALL errore('epsilon', 'bad band
number', 1)
=======================================================
I think it should be:
REAL(nbnd,DP)*full_occ <= nelec/2.0

Let me know if I missed something...

Cheers
Jia
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