HSE06 ISMEAR=?
Posted: Mon Jun 04, 2012 4:02 pm
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.
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.