[Pw_forum] forces_bp_efield.f90

Mon Dec 7 01:46:04 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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