[Wien] wien2wannier with wien2k.14.1

[Zhu, Jianxin]

Hi Elias, 

As you suggested earlier, I pulled this issue to the mailing list.

After I downloaded wien2k.14.1 integrated with wien2wannier, even before
compilation/installation, I noticed many strange characters displayed
inside the wien2wannier90 script files, for example, near the end of
init_w2w_lapw

OPTIONS:
-b      ->      batch mode (do not ask questions)
-numk   ->      number of k-points (default: 100; can also use â~@~\Nx Ny
Nzâ~@~])
-emin,-emax ->  select bands by energy (needs â~@~Xoutput1â~@~Y file;
careful!)
-all X Y    ->  synonym for â~@~X-emin X -emax Yâ~@~Y
-bands I J  ->  select bands directly (more robust)
-proj   ->      specification of initial projections (â~@~\Amnâ~@~])
-w90    ->      Wannier90 options to set

â~@~XOPTIONSâ~@~Y  are only  operative  in batch  mode,  except
â~@~X-w90â~@~Y,  which
accepts as arguments  key-value pairs to be put  into â~@~Xcase.winâ~@~Y.
The
sp/so  switches  are  usually  unnecessary  (detected  automatically).
theend

exit 0



I did some file type check (with the suggestion of Matt Jones at Univ.
Buffalo) ---

/wien2k.14.1] jxzhu% file --mime init_lapw
init_lapw: text/x-shellscript; charset=us-ascii


/wien2k.14.1] jxzhu% file --mime init_w2w_lapw
init_w2w_lapw: text/x-shellscript; charset=utf-8



It looks the charset used for wien2wannier90 scripts is different than the
rest of wien2k scripts.

As such, I manually set

setenv LANG en_US.UTF-8

in the login shell script file. Then I see the following ---

OPTIONS:
-b      ->      batch mode (do not ask questions)
-numk   ->      number of k-points (default: 100; can also use âNx Ny Nzâ
file; careful!)
-all X Y    ->  synonym for â
-bands I J  ->  select bands directly (more robust)
-proj   ->      specification of initial projections (âAmnâ  are only
operative  in batch  mode,  except â,  which
accepts as arguments  key-value pairs to be put  into â.  The
sp/so  switches  are  usually  unnecessary  (detected  automatically).
theend

exit 0



With the manual setting of UTF-8, I still see characters like hat{a} and
the item like -w90 is missing in the display.
As such, I am not sure what I get in whatever way is correct.


I tested this issue on my Mac OSX machine, but also saw the strange
characters on my linux cluster.


Kevin, I appreciate if you can help me check this on your mac osx machine.


Cheers,

Jianxin


#################################
Jian-Xin Zhu, Ph.D
Theoretical Division, MS B262
Los Alamos National Laboratory
Los Alamos, New Mexico 87545
Phone: (505) 667 2363 (T-4);
(505) 667 6602 (CINT)
Fax: (505) 665 4063
Email (main): jxzhu at lanl.gov
Email (backup): physjxzhu at gmail.com
URL: http://theory.lanl.gov
#################################




On 7/1/14 5:34 AM, "Elias Assmann" <elias.assmann at gmail.com> wrote:

>Dear wien2wannier Users!
>
>A new version of the package is available at
><http://www.ifp.tuwien.ac.at/forschung/arbeitsgruppen/cms/software-downloa
>d/wien2wannier/>.
>
>This is a minor update that fixes a few bugs, including one in
>Œwplot2xsf¹ that caused it to crash.
>
>-- 
>Elias Assmann (TU Wien)
>
>Wien2Wannier: maximally localized Wannier functions
>               from linearized augmented plane waves
>
><http://www.ifp.tuwien.ac.at/forschung/arbeitsgruppen/cms/software-downloa
>d/wien2wannier/> 
>
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