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.
HSE06 ISMEAR=?
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wyxsdu
HSE06 ISMEAR=?
Last edited by wyxsdu on Mon Jun 04, 2012 4:02 pm, edited 1 time in total.
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support_vasp
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Re: HSE06 ISMEAR=?
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