[Wien] Error in LAPW2DM

[Laurence Marks]

Dear Gavin,

I like the idea of a patch directory. You are creating them from the files?

---
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 Jul 6, 2015 19:19, "Gavin Abo" <gsabo at crimson.ua.edu> wrote:

>  Did you apply the source code fix to symmetso's clmchange.f of WIEN2k
> 14.2 and accept the new structure generated by symmetso during initso [
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12523.html
> ]?
>
> There is clmchange.f at:
>
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12361.html
>
> or you might be interested in using clmchange.patch instead at:
>
> https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2
>
> (click "WIEN2k-Patches" link, then "Download ZIP" button)
>
> On 7/6/2015 4:05 AM, rahnama at hsu.ac.ir wrote:
>
>  Dear Wien2k users,
> I tried to run GGA+U calculation with structure of EuFe4Sb12. I am having problem at the lapwdm step when both -so and -orb are turned on(Error in LAPW2DM). Also,There is not any errors if I run with only the -orb option (no spin-orbit coupling)or visa versa.
>
> Your guidance to solve this problem will be greatly appreciated.
> Yours,
> Hossein
>
>
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