I've corrected the version on the web. Just download SRC.tar.gz.
It also contains a small fix for all run*_lapw scripts (VERSION in scf
files corrected).
On 12/15/2016 08:44 PM, Elias Assmann wrote:
Dear Kefeng Wang,
On 12/15/2016 06:01 PM, Kefeng Wang wrote:
2. Then I run “init_w2w
eochem.tuwien.ac.at] im Auftrag von Elias
Assmann [elias.assm...@gmail.com]
Gesendet: Freitag, 16. Dezember 2016 06:56
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] wien2wannier with SOC in WIEN2k 16.1
On 12/15/2016 10:13 PM, Kefeng Wang wrote:
> Thanks a lot for your help and explan
On 12/15/2016 10:13 PM, Kefeng Wang wrote:
> Thanks a lot for your help and explanation. With the new script
> write_inwf_lapw, everything works fine now.
Great.
> ->For this one, the exact error message is “recommended file
> ‘GaAs.spaghetti_ene’ not found (will continue)”. But it does not
Dear Elias,
Thanks a lot for your help and explanation. With the new script
write_inwf_lapw, everything works fine now.
> 1. Then I run *prepare_w2wdir WANN, but this command cannot
> recognize Case.spaghettiup_ene and Case.Spaghettidn_ene file,
> instead it shows "cannot find
Dear Kefeng Wang,
On 12/15/2016 06:01 PM, Kefeng Wang wrote:
> 2. Then I run “init_w2w –up”, after k mesh (10 10 10) and find
> band, “write_inwf” shows “error: unrecognized arguments: -up” and
> init_w2w exit. I also found the help file did not include [-up/dn]
> option for write_inwf
Dear developers and user community,
I am trying to run wien2wannier in the new WIEN2k 16.1 on a simple case GaAs
with spin polarization and spin orbital coupling. I met some problems.
My platform and other information:
WIEN2k 16.1, x86_64, linux, intel compiler ifort and mkl (2016.1)
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