[Wien] GGA-PBE and YS-PBE0
Luis Ogando
lcodacal at gmail.com
Thu Jul 14 13:27:38 CEST 2016
Dear Wien2k community,
I would like to know if it is reasonable to use YS-PBE0 (HSE) hybrid
functional in a structure optimized with GGA-PBE. In other words, I would
like to know if the expected effect of the hybrid functional on the Energy
x Volume curve given by the correspondent semilocal functional is a rigid
shift in energy (roughly speaking).
Thank you for your attention.
All the best,
Luis
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