[QE-users] B3LYD

Mohamed Ahmed Abd-Elati maa at niles.edu.eg
Thu Oct 22 16:28:44 CEST 2020


Dear all
I am so sorry for this trivial question.
I am using the quantum Espresso.6.4 (turbo_laczos.x program)  for studying
the optical properties of graphene quantum dots. Is the list of functionals
available for PWscf on the QE home page include B3LYP  hybrid potentials.
Also , what is the difference between TDDFPT and TD-B3LYP .
Thanks
*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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