spin polarised calculation with HSE
Posted: Wed Apr 20, 2011 2:36 pm
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.
Chandrima
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.
Chandrima