[Pw_forum] from electrons : error # 1

Mansoureh Pashangpour mansourehp at gmail.com
Tue Jan 15 08:46:51 CET 2013


Dear users
I would like to apply Efieild for graphene and doped graphene  with Boron
atom. After scf calculation when I've added Efield= .true.,
I've received this error for doped case:
from electrons : error #         1
     charge is wrong: smearing is needed
while for graphene I haven't received this error and it run without any
problem. why does this error appear and how can I solve it?
I look forward to hear from you
Best regards
M. Pashangpour
IAU, Iran
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