[Wien] XC potentials in lstart
jg
jg at xps2.zfcst.us.edu.pl
Thu Mar 1 13:03:18 CET 2007
Hello,
Does anyone know whether it is possible to chose another Vxc potential
than the ones listed in LSTART (namely 5,13,14) ?
I've looked into the source of lstart and there are files for some
another potentials, however, I don't know whether they work. Also in
one place of the source I found some fallback to potential 5 for all
numbers less than 10.
I use Wien2k6.
The purpose of my search is to find Barth-Hedin Vxc with LMH corrections
in order to compare results to LMTO calculations,
sincerely,
Jerzy Goraus
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