Regarding your question 1) below, yes, it is necessary to add the -up
and -dn to the "x w2w -so" command as the Wien2Wannier 2.0 User’s Guide
says on page 5:
"Note: it does not make sense to run x w2w -so without either -up or -dn;"
Regarding your question 2) below, in the thread of posts for
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 affe
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 spa
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 command. So I manually
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 c
Dear Jianxin,
Normally, wien2wannier usage questions should go to the Wien2k mailing
list for the possible benefit of other users. I am copying to the list now.
On 09/16/2016 09:38 PM, Zhu, Jianxin wrote:
> x lapw1 –p
> x lapwso –p
> cp fccYb-W.fermi fccYb-W.fermiup
> cp fccYb-W.fermi fccYb-W.fe
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