polarized calculation

Bader charge density analysis

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erichuff
Posts: 1
Joined: Fri Aug 30, 2019 7:28 am

polarized calculation

Post by erichuff » Fri Aug 30, 2019 7:31 am

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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