Hi
I have been trying to do a spin polarized calculation with HSE
(ISPIN =2) of a certain system and am getting an error message which looks as follows :
EDWAV: internal error, the gradient is not orthogonal 1
Can somebody please help ?
Thanks.
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- Fri Aug 30, 2019 7:31 am
- Forum: Bader
- Topic: polarized calculation
- Replies: 0
- Views: 168487