[Wien] LB94

[Subrata Jana]

Dear Wien2k users,
Recently i go through the paper "Better band gaps with asymptotically
corrected
local exchange potentials "
(link: https://journals.aps.org/prb/pdf/10.1103/PhysRevB.93.085204)
They used LB94 potential and obtained band gap of Ar 12.76 eV. I done the
LB94 calculation using Wien2k but obtained band gap of Ar only 8.70 eV.
Though both code used different basis set. Is it only problem of basis set
or anything else ??

With Regards,
Subrata Jana
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170516/9cb125d5/attachment.html>