spin polarised calculation with HSE
Posted: Fri Apr 05, 2019 8:39 am
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 ?
(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 ?