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spin polarised calculation with HSE

Posted: Tue Apr 19, 2011 2:13 am
by chandrima
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

Re: spin polarised calculation with HSE

Posted: Thu Sep 12, 2024 8:43 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP