When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?
Thanks for your helps!
When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?
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huangdan
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When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?
Last edited by huangdan on Thu Feb 25, 2010 3:17 am, edited 1 time in total.
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admin
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When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?
yes, please use paw-pseudopotentials and define the exact-exchange type in INCAR
Last edited by admin on Fri Mar 05, 2010 8:38 pm, edited 1 time in total.