[Wien] wien2wannier with wien2k.14.1

[Zhu, Jianxin]

All, 

Sorry for disturbing you this afternoon.

After a few more times of struggling, I pinned down the root cause to be
with the setting of xterm under x11.
With the correction, the problem disappears. Of course, we still need to

setenv LANG en_US.UTF-8


on the linux cluster if the UTF-8 is not set as default, if we remotely
log onto it.

Cheers, 

Jianxin 




On 9/23/14 12:22 PM, "Zhu, Jianxin" <jxzhu at lanl.gov> wrote:

>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
>
>
>
>
>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-downlo
>>a
>>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-downlo
>>a
>>d/wien2wannier/> 
>>
>>_______________________________________________
>>Wien mailing list
>>Wien at zeus.theochem.tuwien.ac.at
>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>SEARCH the MAILING-LIST at:
>>http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>SEARCH the MAILING-LIST at:
>http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html