[Wien] band structure

[mitra narimani]

yes I run x lapw2 -p -c -so -band -qtl, run of each step gives much time
for example x lapw1 -up ... and x lapwso ...
while DOS of this calculation is carried out very well and the s, p, d and
f characters are determined very well.

2015-11-21 23:29 GMT+03:30 mitra narimani <m.narimani84 at gmail.com>:

> Hi yes, I change the first character corresponding to different atoms and
> second corresponding to the s, p, d and f orbitals and change the size of
> heavier plotting but the band structure is the same as before and defult of
> wien.
> Note, my supercell has 96 atoms and calculations are carried out by wien2k
> version13.
>
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