[Pw_forum] forces_bp_efield.f90
Q.J.Wang
wangqj1 at 126.com
Sun Dec 6 13:38:23 CET 2009
Dear all
In the forces_bp_efield.f90,one part of code is as following:
! --- Check that we are working with an insulator with no empty bands ---
IF ((degauss > 0.01d0) .OR. (nbnd /= nelec/2)) &
WRITE (stdout,*) 'PAY ATTENTION: EL FIELD AND OCCUPATIONS'
So I want to know the forces_bp_efield.f90 only fit to insulator ? If my system is half metallic ,can I use this code to relax ? If my system have odd electrons ,how to set it ?
--
Best regards
Q.J.Wang
XiangTan University
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