[Wien] exchange energy plot

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Sun Mar 19 08:27:40 CET 2017


Hi,

If you replace NR2V by R2V in case.in0 (2nd line), then the xc potential
is written in case.r2v, which can be used by the plotting module lapw5.

FT

On Sunday 2017-03-19 07:35, Subrata Jana wrote:

>Date: Sun, 19 Mar 2017 07:35:25
>From: Subrata Jana <subrata.jana at niser.ac.in>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] exchange energy plot
>
>Hi,Is it possible to plot exchange potential for comparison? For example, the exchange potential of LSDA, EXX and TBMBJ as it is shown in the Figure-1 of paper "Band gap calculations with
>Becke-Johnson exchange potential" by F. Tran, P. Blaha and K. Schwarz.
>
>Regards,
>Subrata Jana
>
>


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