Dear Tran
I am performing YS-PBE0 on a scf (with -so) calculation with pbe-gga with
Wien2k_18.1.
I have few queries.
A.
1. My original scf(-so) has done with 7 7 5 shifted mesh. To reduce the
computational cost I am using 3 3 2 mesh for YS-PBE0 (see appendix below
how I did it).
Can we do this
You can find detailed steps below
Re: [Wien] problem with YS-PBE0
t...@theochem.tuwien.ac.at
Mon, Aug 20, 2018, 1:24 PM
Hi,
The calculation of DOS, band structure and optical properties with
hybrid functionals is more complicated than with GGA, in particular
if this is for a k-mesh that is
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