[Wien] running PBEsol
tran at theochem.tuwien.ac.at
tran at theochem.tuwien.ac.at
Mon May 25 09:13:30 CEST 2015
Yes, it's enough to choose PBEsol during init_lapw.
The important is that the correct potential is selected
in case.in0 (first line).
On Mon, 25 May 2015, Seyyed Amir Abbas Emami wrote:
> Dear wien2k users
>
> I am using WIEN2k_12.1. I want to use PBEsol potential in my calculation. As i know, some potential approximation in WIEN2K require prerequisites (i.e.
> mBJLDA).Now choosing only the PBEsol option in LSTART is sufficient and don't require any further steps.
>
> Thank you in advance
>
>
>
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