[Wien] band structure

[Gavin Abo]

Perhaps I missed it in a previous post, but did you mention what line 
switch you are using in case.insp [ 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011883.html 
, 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08602.html 
]?

Of note, the WIEN2k bug list shows [ 
http://www.wien2k.at/reg_user/updates/ ]:

VERSION_14.1: 8.9.2014

SRC_lapw2: bug fix for qtl-file with SO

So updating from 13 to 14.2 should be a good thing to do.

On 11/22/2015 8:06 AM, mitra narimani wrote:
> I have tried the simple systems and nanolayers, and I calculated the 
> band structure of them but I have never run to this problem. please 
> help me
> Best regard.
>
> 2015-11-22 12:53 GMT+03:30 mitra narimani <m.narimani84 at gmail.com 
> <mailto:m.narimani84 at gmail.com>>:
>
>     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
>     <mailto: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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