SHG calculation about symmetry group
Posted: Thu Sep 14, 2023 4:07 pm
Hi,
I meet a problem about symmetry group on SHG calculation.
1. When I generate the FixSymm folder using "RmTimeRev # Remove Time Reversal" as before, the report file stops by reporting
"
[05] NL Initialization
======================
[ERROR] STOP signal received while in[05] NL Initialization
[ERROR] Use ypp -y to repair the symmetry group and restart Yambo
"
2. but if I use "RmAllSymm # Remove all symmetries
RmTimeRev # Remove Time Reversal"
to generate the FixSymm folder, the calculation is totally OK, ie. I can get the SHG result.
As "RmAllSymm" really gives many more k-point than "RmTimeRev". Would you please help me to see what the problem is~
Many thanks~
I meet a problem about symmetry group on SHG calculation.
1. When I generate the FixSymm folder using "RmTimeRev # Remove Time Reversal" as before, the report file stops by reporting
"
[05] NL Initialization
======================
[ERROR] STOP signal received while in[05] NL Initialization
[ERROR] Use ypp -y to repair the symmetry group and restart Yambo
"
2. but if I use "RmAllSymm # Remove all symmetries
RmTimeRev # Remove Time Reversal"
to generate the FixSymm folder, the calculation is totally OK, ie. I can get the SHG result.
As "RmAllSymm" really gives many more k-point than "RmTimeRev". Would you please help me to see what the problem is~
Many thanks~