[QE-users] BLYP hybrid functional
Mohamed Ahmed Abd-Elati
maa at niles.edu.eg
Sat Nov 14 13:51:15 CET 2020
Dear all
I want to calculate the absorption coefficient for graphene flake using
TD-B3LYP. Is B3LYP equivalent to BLYP in quantum esspresso?, and where can
finding pseudopotentials related to BLYP hybrid functional?
Thanks in advanced
*Mohammed A. Abdelati*
*Assistant Lecturer*
Laser Applications in Metrology Photochemistry and Agriculture (LAMPA)
Department, National Institute of Laser Enhanced Sciences (NILES), Cairo
University, Giza, Egypt.
Mobile +20 1009752922
Home +201152605076
E-mail ma1986ff at yahoo.com
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