Error in the GW calculation for hexagonal crystal

GW, Bethe-Salpeter …

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whyyzf5725
Posts: 4
Joined: Sat Jan 01, 2011 4:42 pm

Error in the GW calculation for hexagonal crystal

Post by whyyzf5725 » Mon Dec 16, 2013 5:44 am

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
Attachments
tgw1.in
Input file
(2.41 KiB) Downloaded 570 times
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whyyzf5725
Posts: 4
Joined: Sat Jan 01, 2011 4:42 pm

Re: Error in the GW calculation for hexagonal crystal

Post by whyyzf5725 » Tue Dec 24, 2013 4:33 am

The problem have not been solved, hope everyone help me, thank you!
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elchatz
Posts: 15
Joined: Wed May 03, 2017 12:17 pm

Re: Error in the GW calculation for hexagonal crystal

Post by elchatz » Wed May 24, 2017 3:23 pm

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...
...
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elchatz
Posts: 15
Joined: Wed May 03, 2017 12:17 pm

Re: Error in the GW calculation for hexagonal crystal

Post by elchatz » Sun May 28, 2017 9:59 am

I solved this by using the following:

chksymbreak 0
symmorphi 0
nsym 1
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