[Wien] problem with w2w
Gavin Abo
gsabo at crimson.ua.edu
Tue Jul 21 17:34:13 CEST 2015
You might want to try my patch (w2w_main.patch), which you can get at
https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2 (click
WIEN2k-Patches and Download ZIP)?
I think this will improve the error message in w2w.error from what you
got to:
'w2w' - can't open definition file w2w.def
You mentioned that you ran the command: w2w.
Did you launch w2w with the x command: x w2w?
The x is important, because it is a link to the x_lapw script that
should create the w2w.def file. Check for the w2w.def file, does it
exist, is it non-empty, and does it have read permissions?
On 7/21/2015 3:15 AM, Patrik Wealth wrote:
> Hi Prof Blaha and Wien2k users,
>
> I have a question regarding wien2wannier interface.
> The command w2w returns 'w2w - Error' and when I check the error file
> it's written 'w2w' - can't open definition file.
>
> I have installed Wien2k_14.2 without any error. I was able to run all
> previous steps
> for bulk GaAs (namely, creating the bulk bandstructure with wien2k,
> preparing a separate directory,
> running init_w2w and running lapw1 again) without any problem.
>
> Does anyone know where the problem is or at least point me in the
> right direction?
> By the way, lapw1.def file has been created, if this is the mentioned
> definition file.
> I appreciate any help.
>
> Thanks in advance
> Patrik
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