Error in the GW calculation for hexagonal crystal
Posted: 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
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