Re: [Wien] wien2wannier with wien2k.14.1
It is a matter of taste how one wants to do it.
The UTF-8 character set has nice features with special characters, for
instance displays z^2 really with a superscript 2.
On the other hand, when using putty from home, I had the same
problem as you and unreadable characters appear as output and sometimes
the messages are completely scrambled.
It should not affect basic functionality (except when you cannot read
some help-instruction).
On 09/24/2014 03:32 AM, Zhu, Jianxin wrote:
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 jx...@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.assm...@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/
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--
P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php
Re: [Wien] wien2wannier with wien2k.14.1
On 09/24/2014 03:32 AM, Zhu, Jianxin wrote: Sorry for disturbing you this afternoon. It is for me to apologize for inflicting this problem on you (and on other wien2wannier users, I fear) through my choice to use UTF-8 characters in some wien2wannier messages. I chose to use those characters because they were nice for formatting the names of orbitals for the initial projections in `write_inwf' (like Peter's example `z²'), and because I thought that support for them should be pretty much universal on any modern system. Of course I was aware that there might be a few people it would fail for, but not that it would fail so badly. (You showed that not only are the Unicode characters displayed wrongly, but ASCII character between them are deleted: `-emin X -emax Y' [substituting apostrophes for the offending Unicode quote marks] becomes â!) I will shortly provide an ASCIIized version of wien2wannier, and avoid non-ASCII characters in future versions. (Of course, the Right Thing would be to make the programs aware of the locale settings and adjust the messages accordingly, as many tools do these days ...) 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. On my machine, experimentation shows that it is a question of the locale settings in effect when the terminal is started. I.e., $ unset LANG $ xterm gives me a terminal that displays the characters wrongly, but just changing it in the current shell [old terminal] $ xterm [new xterm]$ unset LANG does not change the behavior. Also, xterm showed the problem while my standard terminal application does not. Elias ___ Wien mailing list Wien@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
Re: [Wien] wien2wannier with wien2k.14.1
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 jx...@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.assm...@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/
___
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SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
___
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SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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