Dear Developers and Users,
I have been trying to vc-relax a crystal, but every time I have encountered
with the following error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine cdiaghg (251):
problems computing cholesky
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I get this error even if I decrease the k-points to its minimum, and decrease
the the cutoff energy to a ridiculously low value. I have to add I get this
error for all major PPs.
So, I would really appreciate if somebody could give me any hint regarding this
issue. In the meantime, I have attached the input file to this e-mail.
With kind regards,
Amin Mirzai,
PhD candidate
Dept. of Maskinteknologi,
Lund University,
P.O. Box 118,
SE-221 00 Lund,
Sweden
inputfile
Description: inputfile
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