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Error in the GW calculation for hexagonal crystal

Posted: Mon Dec 16, 2013 5:44 am
by whyyzf5725
Dear all,
I am doing a GW calculation for the gap correction for hexagonal crystal, but my calculation is stopped and exits leaving following error
OutKss-Error:
Non-symmorphic operations still remain in the symmetries list
Program does not stop but _kss file will not be created.
Could you help me how to solve this problem, here is my input file

Re: Error in the GW calculation for hexagonal crystal

Posted: Tue Dec 24, 2013 4:33 am
by whyyzf5725
The problem have not been solved, hope everyone help me, thank you!

Re: Error in the GW calculation for hexagonal crystal

Posted: Wed May 24, 2017 3:23 pm
by elchatz
I have the same problem here.

--- !WARNING
src_file: m_io_kss.F90
src_line: 1409
message: |
Non-symmorphic operations still remain in the symmetries list
Program does not stop but _KSS file will not be created...
...

Re: Error in the GW calculation for hexagonal crystal

Posted: Sun May 28, 2017 9:59 am
by elchatz
I solved this by using the following:

chksymbreak 0
symmorphi 0
nsym 1