[Wien] Requestion:Problem in Gap value??(semiconductor not mettalic)

[Laurence Marks]

Make it 4 spaces.

Also, check your case.inhf

The source of your problem is "obvious". Instead of having 496 electrons
filling 248 up/dn states you have 96 filling 48 up/dn.

All we can do is guess what you have done wrong.

---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Sep 27, 2015 08:17, "Marzieh Gh" <mghoohestani18 at gmail.com> wrote:

> Dear Laurence Marks
> <http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22>
>
> There are two spaces before the 496 in case.in2
>
>
>
> --
> Marzieh Ghoohestani
> PhD Student of Computational Nano Physics
> Nano Research Center, Department of Physics
> University of Technology, Isfahan, Iran
>
>
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