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<div>Wien2wannier evolved quite a bit since 2014. I am not sure if you can take the current version of w2w and put into the old wien2k. The best solution would be to invest time into compiling wien2k 2017, which already includes w2w.</div>
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<div id="AppleMailSignature">Oleg<br>
<br>
<span style="background-color: rgba(255, 255, 255, 0);">--<br>
Oleg Rubel (PhD, PEng)<br>
Department of Materials Science and Engineering<br>
McMaster University<br>
JHE 359, <a href="x-apple-data-detectors://0/1" dir="ltr" x-apple-data-detectors="true" x-apple-data-detectors-type="address" x-apple-data-detectors-result="0/1" style="-webkit-text-decoration-color: rgba(0, 0, 0, 0.258824);">1280 Main Street West, Hamilton,
Ontario L8S 4L8, Canada</a><br>
Email: <a href="mailto:rubelo@mcmaster.ca" dir="ltr" x-apple-data-detectors="true" x-apple-data-detectors-type="link" x-apple-data-detectors-result="0/2" style="-webkit-text-decoration-color: rgba(0, 0, 0, 0.258824);">rubelo@mcmaster.ca</a><br>
Tel: <a href="tel:+1-905-525-9140;24094" dir="ltr" x-apple-data-detectors="true" x-apple-data-detectors-type="telephone" x-apple-data-detectors-result="0/3" style="-webkit-text-decoration-color: rgba(0, 0, 0, 0.258824);">+1-905-525-9140, ext. 24094</a><br>
Web: <a href="http://olegrubel.mcmaster.ca/" dir="ltr" x-apple-data-detectors="true" x-apple-data-detectors-type="link" x-apple-data-detectors-result="0/4" style="-webkit-text-decoration-color: rgba(0, 0, 0, 0.258824);">http://olegrubel.mcmaster.ca</a></span></div>
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On Sep 8, 2017, at 23:05, halim said <<a href="mailto:halim_said04@yahoo.fr">halim_said04@yahoo.fr</a>> wrote:<br>
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<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>Dear Professor Gavin,</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br>
</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span id="yui_3_16_0_ym19_1_1504924766400_5561">Thank you for your suggestion, but for my case I am working with wien2k14, also you said that I need to use wien2wannier, should I compiled and use it with BerryPi?</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br>
</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>I appreciate for your answer.</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br>
</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br>
</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>Regards,</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br>
</span></div>
<div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>Halim</span></div>
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<div dir="ltr"><font size="2" face="Arial">Le Vendredi 8 septembre 2017 11h45, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> a écrit :<br>
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<div><font face="Times New Roman">I cannot recall if </font><span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">BerryPI works with Python 2.6. You can try it, but maybe it doesn't work as section "8.2 BerryPI (Modern theory of polarization)" in the
WIEN2k 17.1 usersguide on page 149 has:</span></div>
<div><span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">"It consists of a set of Python scripts (<b>requires</b>
<b>Python 2.7</b> and the NumPi library) and uses wien2wannier for the calculation of overlap integrals."<br clear="none">
</span></div>
The current error, however, doesn't look like it is caused by <span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">
Python 2.6.<br clear="none">
<br clear="none">
In your config.py, there is:<br clear="none">
<br clear="none">
#fix for location of python file locations when executing from the python commandline<br clear="none">
DEFAULT_BIN_PATH=/home/ha/SRC_BerryPI/BerryPI<br clear="none">
<br clear="none">
#Fix for python path to make sure it grabs the latest version<br clear="none">
DEFAULT_PYTHON_PATH=/usr/bin/python<br clear="none">
<br clear="none">
</span>As Oleg mentioned, the current error will most likely be resolved if you edit it and add single quotes to those lines:<br clear="none">
<br clear="none">
<span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">#fix for location of python file locations when executing from the python commandline<br clear="none">
DEFAULT_BIN_PATH='/home/ha/SRC_BerryPI/BerryPI'<br clear="none">
<br clear="none">
#Fix for python path to make sure it grabs the latest version<br clear="none">
DEFAULT_PYTHON_PATH='/usr/bin/python'</span><br clear="none">
<br clear="none">
<div class="yiv5780257137yqt2230009339" id="yiv5780257137yqt74113">
<div class="yiv5780257137moz-cite-prefix">On 9/7/2017 8:40 PM, halim said wrote:<br clear="none">
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<div><span>Dear Prof Oleg,</span></div>
<div><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6989"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">Thank you for your suggestion, I don't work on personal computer and Python2.6 version is installed.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Is it ok? please find config.py as attached file.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Your suggestion is very much appreciated.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Looking forward for your answer.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>All my best,</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
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<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Halim </span></div>
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<div dir="ltr"><font size="2" face="Arial">Le Jeudi 7 septembre 2017 21h49, "Rubel, Oleg"
<a rel="nofollow" shape="rect" class="yiv5780257137moz-txt-link-rfc2396E" ymailto="mailto:rubelo@mcmaster.ca" target="_blank" href="mailto:rubelo@mcmaster.ca">
<rubelo@mcmaster.ca></a> a écrit :<br clear="none">
</font></div>
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<div dir="ltr">Ok. Can you reply with config.py file attached?<br clear="none">
<br clear="none">
I remember python being picky about single quote signs for the text variable enclosures.<br clear="none">
<br clear="none">
...<br clear="none">
#fix for location of python file locations when executing from the python commandline<br clear="none">
DEFAULT_BIN_PATH='/home/rubel/BerryPI'<br clear="none">
<br clear="none">
#Fix for python path to make sure it grabs the latest version<br clear="none">
DEFAULT_PYTHON_PATH='/software/CentOS-6/tools/python-2.7.3/bin/python’<br clear="none">
…<br clear="none">
<br clear="none">
Also check<br clear="none">
[<a rel="nofollow" shape="rect" ymailto="mailto:rubel@lg-1r14-n04" target="_blank" href="mailto:rubel@lg-1r14-n04">rubel@lg-1r14-n04</a> GaN-W]$ which berrypi<br clear="none">
<br clear="none">
Here is what I have:<br clear="none">
alias berrypi='/software/CentOS-6/tools/python-2.7.3/bin/python /home/rubel/BerryPI/berrypi'<br clear="none">
/software/CentOS-6/tools/python-2.7.3/bin/python<br clear="none">
<br clear="none">
Thanks<br clear="none">
Oleg<br clear="none">
<br clear="none">
> On Sep 7, 2017, at 14:28, halim said <<a rel="nofollow" shape="rect" ymailto="mailto:halim_said04@yahoo.fr" target="_blank" href="mailto:halim_said04@yahoo.fr">halim_said04@yahoo.fr</a>> wrote:<br clear="none">
> <br clear="none">
> Dear Prof Oleg,<br clear="none">
> <br clear="none">
> Thank you for your answer. I changed the path in config.py and set it as in the mentioned folder, also the folder home/ha/SRC_BerryPI/BerryPI<br clear="none">
> exists.<br clear="none">
> <br clear="none">
> The same error occurs after changing the path, please what to do to solve the problem?<br clear="none">
> <br clear="none">
> I appreciate your help.<br clear="none">
> <br clear="none">
> Halim<br clear="none">
> <br clear="none">
> <br clear="none">
> Le Jeudi 7 septembre 2017 19h23, "Rubel, Oleg" <<a rel="nofollow" shape="rect" ymailto="mailto:rubelo@mcmaster.ca" target="_blank" href="mailto:rubelo@mcmaster.ca">rubelo@mcmaster.ca</a>> a écrit :<br clear="none">
> <br clear="none">
> <br clear="none">
> Please check that the folder /home/ha/SRC_BerryPI/BerryPI<br clear="none">
> really exists. Your error message suggests that it can be /home/ha/WIEN2k/SRC_BerryPI/BerryPI<br clear="none">
> In this case you should edit DEFAULT_BIN_PATH in config.py<br clear="none">
> <br clear="none">
> I hope it will fix your problem<br clear="none">
> Oleg<br clear="none">
> <br clear="none">
> > On Sep 7, 2017, at 12:11, halim said <<a rel="nofollow" shape="rect" ymailto="mailto:halim_said04@yahoo.fr" target="_blank" href="mailto:halim_said04@yahoo.fr">halim_said04@yahoo.fr</a>> wrote:<br clear="none">
> > <br clear="none">
> > Dear Wien2k users community,<br clear="none">
> > <br clear="none">
> > I am facing problem when running berrypi, i followed the example of GaN, but i am getting this error. How to solve it.<br clear="none">
> > <br clear="none">
> > gan> berrypi -k6:6:6<br clear="none">
> > Traceback (most recent call last):<br clear="none">
> > File "/home/ha/WIEN2k/SRC_BerryPI/BerryPI/berrypi", line 25, in <module><br clear="none">
> > import submoduleProcess as b_PySubProcess<br clear="none">
> > File "/home/ha/WIEN2k/SRC_BerryPI/BerryPI/submoduleProcess.py", line 11, in <module><br clear="none">
> > from config import BERRY_DEFAULT_CONSOLE_PREFIX as DEFAULT_PREFIX<br clear="none">
> > File "/home/ha/WIEN2k/SRC_BerryPI/BerryPI/config.py", line 14<br clear="none">
> > DEFAULT_BIN_PATH=/home/ha/SRC_BerryPI/BerryPI<br clear="none">
> > ^<br clear="none">
> > SyntaxError: invalid syntax<br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > I would be thankful for your suggestion and answer to solve the problem.<br clear="none">
> > <br clear="none">
> > Looking forward your answer.<br clear="none">
> > <br clear="none">
> > Halim Said<br clear="none">
> <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > _______________________________________________<br clear="none">
> > Wien mailing list<br clear="none">
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