Dear users
I have been to vc-relax my system with hybrid pseudopotentials. However, I
always end up with this error message.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine electrons (1):
dexx is negative! Check that exxdiv_treatment is appropriate for the
system.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Although, in previous emails, I was suggested to turn off
x_gamma_interpolation. However, this is not solving my problem. The first
BFGS cycle runs smooth. However, in the second cycle I get this error
message. The pw.input and pw.out file attached.
I shall be grateful if anyone can help me to solve this issue.
--
Best Regards
Muhammad Adnan Saqlain
PhD. UFJF. Brazil
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