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HSE06 ISMEAR=?

Posted: Mon Jun 04, 2012 4:02 pm
by wyxsdu
When I calculated DOS by HSE06, some states cross the Fermi energy.

ISMEAR=-5 can not allowed in HSE06 since ALGO=ALL

How can I do to obtain the accurate DOS without tail on DOS around Ef.

Re: HSE06 ISMEAR=?

Posted: Thu Sep 12, 2024 8:13 am
by support_vasp

Hi,

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