Hi, Elias.
Maybe I can share my experiences.
I'm a user of v0.96.
The problem occurs when _ exists in the filename.
More specifically, the trouble appears when I tried to get Wannier plots.
I think that the key is in either [prepare_plots.sh] or [xsfAll.sh].
(I could not find any problem with
On 03/17/2015 09:58 AM, Kyohn Ahn wrote:
Maybe I can share my experiences.
I'm a user of v0.96.
Thank you for the report. The problem is most likely related to
‘xsfAll.sh’ looking for a string “_N” in the filename, where N is a
number. I believe this is already fixed in the new version,
On 03/12/2015 03:14 PM, wasim raja Mondal wrote:
Going through the script, I found it is related with case.
Sorry, but I do not understand that. Which script, precisely? What is
“case”, the Wien2k “case name”, or character case (big/little)?
Thanks,
Elias
PS: For
Hi Ellias,
Going through the script, I found it is related with case.
Regards
wasim
On Wed, Mar 11, 2015 at 5:20 PM, Elias Assmann elias.assm...@gmail.com
wrote:
Glad you could solve the problem.
Could you clarify what happened? If a bug like this exists in the current
version
yes, but for newer version 1.0, I am using wplot2xsf. I have attached two
file.
On Tue, Mar 10, 2015 at 5:05 PM, Elias Assmann elias.assm...@gmail.com
wrote:
On 03/10/2015 10:09 AM, wasim raja Mondal wrote:
*xsfAll.sh subdir_final*
If you are using wien2wannier 1.0 now, note that
Hi, Mondal.
Could you try to delete _ in the name of your files?
for example..,
[abc_qwe.vector] → [abcqwe.vector]
I had a similar experience to you (for old version of w2wan).
Have a nice day.!
- Kyohn
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On 03/11/2015 07:24 AM, wasim raja Mondal wrote:
wplot2xsf.py subdir_final 2 o.out
I think wplot2xsf.py is still the pre-1.0 incarnation of wplot2xsf_lapw
(as it is known in the new Wien2k distribution). Two suggestions if you
want to use the new version now:
* Remove the old wien2wannier
Hi Kyhon,
Just now I have solved the issue this way. Thanks a lot.
Regards
wasim
On Wed, Mar 11, 2015 at 2:01 PM, Kyohn Ahn kyohn1...@gmail.com wrote:
Hi, Mondal.
Could you try to delete _ in the name of your files?
for example..,
[abc_qwe.vector] → [abcqwe.vector]
I had
Glad you could solve the problem.
Could you clarify what happened? If a bug like this exists in the
current version of wplot2xsf, I would like to fix it.
Elias
On 03/11/2015 09:33 AM, wasim raja Mondal wrote:
Hi Kyhon,
Just now I have solved the issue this way.
On 03/10/2015 10:09 AM, wasim raja Mondal wrote:
*xsfAll.sh subdir_final*
If you are using wien2wannier 1.0 now, note that xsfAll.sh is no longer part of
that. The new version of wplot2xsf can convert all your plots in one step.
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On 03/09/2015 04:52 PM, wasim raja Mondal wrote:
Hi Ellias,
Thanks. In 1.0 version when I am using write_inwf , it
tells to give
next proj. (3 to go; Ctrl-D if done)? V 2
didn't catch that: SITE and ORB must be given
This is a question that the ‘-h’ switch of write_inwf (or the
On 03/09/2015 06:54 PM, wasim raja Mondal wrote:
Hi,
In wein2k_14 version, wannier90 also compiled with wien2k?
At the stage of wanner90.x -pp
I am getting this error
/home/wien2k_14_installation/wannier90: line 156: wannier90.x: command
not found
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io
Dear Ellias,
Thanks. yes that issue is solved. I am facing problem
which is described below
My case is subdir_final.
I am able to produce the following
*write_wplotdef subdir_final*
*write_wplotin subdir_final*
*prepare_plots.sh
Dear Ellias,
I was using wien2k version 13 and wien2wannier version
0.96. With this version of wienwannier interface I am not able to plot
wannier function. I am using SrVO3 example. I able to create case
m.psiarg and case.psink but not creat XSF file to visualize in xcrsden. So
Hi Ellias,
Thanks. In 1.0 version when I am using write_inwf , it tells
to give
next proj. (3 to go; Ctrl-D if done)? V 2
didn't catch that: SITE and ORB must be given
what I have to give for SrVO3?
Regards
wasim
On Mon, Mar 9, 2015 at 8:06 PM, Elias Assmann
Hi Wasim,
Of course it is possible to produce plots (in psink+psiarg but also xsf
format) using pre-1.0 wien2wannier (the last version was 0.97). If the
problem is really the conversion to xsf, you should also be able to use
the wplot2xsf script from the new wien2wannier version to do this
Hi,
In wein2k_14 version, wannier90 also compiled with wien2k?
At the stage of wanner90.x -pp
I am getting this error
/home/wien2k_14_installation/wannier90: line 156: wannier90.x: command not
found
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
I have to separately download and install
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