[Wien] Error running wannier90.x for GaAs spin-orbit coupling wien2wannier

[Dara Goldar]

Dear Mr. Elias Assmann

Thank you for your quick reply.

I gave you incorrect information on the operative system I am running, it
is not linux but Ubuntu. Sorry about that.


With the following command, I get some information on the version of
c-shell I am running:

dpkg -l csh


||/ Name             Version          Description
+++-================-================-================================================
ii  csh              20110502-2ubuntu Shell with C-like syntax

I'm not sure how helpful this is for you though.

I am not familiar with c shell, but will try to test whether -s works on my
version or not.

Is your suggestion that I make the following change in x_lapw which you
suggested and then recompile x_lapw?



*I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup )’
because older csh versions do not have the ‘-s’ test.  (Maybe it is a
‘tcsh’ vs. ‘csh’ issue.)*


best regards,
Dara



2016-12-04 13:25 GMT+01:00 Elias Assmann <elias.assmann at gmail.com>:

> Dear Dara Golda,
>
> On 12/04/2016 12:29 PM, Dara Goldar wrote:
> > I am trying to run wien2wannier on a spin-orbit GaAs - case, but
> > experiencing problems when running *x wannier90 - so*.
> >
> > …
>
> >>>> (x) w2waddsp: neither mmn nor amn files present -- nothing to do ->
> exit
>
> > I have however confirmed that the files case.amnup and case.amndn etc
> > are present in the folder. Furthermore, no files in the WANN-files
> > contain any information on errors!
>
> In Wien2k 14.2, the ‘w2waddsp’ section of x_lapw reads
>
> case w2waddsp:
> true >$def
> …
> if (! -s $file.amnup && ! -s $file.mmnup) then
>   error "w2waddsp: neither mmn nor amn files present -- nothing to do"
> endif
> …
>
> I later changed ‘! -s $file’ to ‘! ( -e $file.amnup && ! -z $file.amnup
> )’ because older csh versions do not have the ‘-s’ test.  (Maybe it is a
> ‘tcsh’ vs. ‘csh’ issue.)
>
> Does your csh support ‘-s’ (you can test that interactively)?  What does
> ‘csh --version’ say?
>
>         Elias
>
> --
> Elias Assmann
>
> Wien2Wannier: maximally localized Wannier functions
>               from linearized augmented plane waves
>
>                      http://wien2wannier.github.io/
>       https://github.com/wien2wannier/wien2wannier/
>
>
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