Dear researchers
I want to perform GW calculation using Berkeley GW package. To begin with,
however, I need bands simulation with a large number of bands using pw.x in
QE. I am doing a calculation on hBN monolayer now. However, when I use more
than 1000 bands in bands simulation I get the following error:
Error in routine cdiaghg (983):
problems computing cholesky
I have seen that the same error occurs for other materials when the number
of bands is very large. Has anyone faced this error before? I will be very
grateful if someone could suggest a way around this problem.
Thanks in advance
Kanak Datta
University of Michigan, Ann Arbor
_______________________________________
Kanak Datta
Graduate Student
Electrical Engineering and Computer Science
University of Michigan, Ann Arbor
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