In WIEN2k_14/SRC_BerryPI/BerryPI/Installation/readme.org, there should be:
* Dependencies
- WIEN2k (tested against 13.1 Release 25 June 2013) <- wien2k14
instead of 13.1 should be okay here
- WIEN2WANNIER (tested against v1.0-beta2)
- Python (tested against 2.7.4)
- NumPy (tested
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.
Oleg
--
Oleg Rubel (PhD, PEng)
Department of Materials Science
Dear Professor Gavin,
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?
I appreciate for your answer.
Regards,
Halim
Le Vendredi 8 septembre 2017 11h45, Gavin Abo
I cannot recall if 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:
"It consists of a set of Python scripts (*requires* *Python 2.7* and the
NumPi library) and uses
Dear Prof Oleg,
Thank you for your suggestion, I don't work on personal computer and Python2.6
version is installed.Is it ok? please find config.py as attached file.
Your suggestion is very much appreciated.
Looking forward for your answer.
All my best,
Halim
Le Jeudi 7 septembre 2017
Ok. Can you reply with config.py file attached?
I remember python being picky about single quote signs for the text variable
enclosures.
...
#fix for location of python file locations when executing from the python
commandline
DEFAULT_BIN_PATH='/home/rubel/BerryPI'
#Fix for python path to
Dear Prof Oleg,
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/BerryPIexists.
The same error occurs after changing the path, please what to do to solve the
problem?
I appreciate your help.
Halim
Le
Please check that the folder /home/ha/SRC_BerryPI/BerryPI
really exists. Your error message suggests that it can be
/home/ha/WIEN2k/SRC_BerryPI/BerryPI
In this case you should edit DEFAULT_BIN_PATH in config.py
I hope it will fix your problem
Oleg
> On Sep 7, 2017, at 12:11, halim said
Dear Wien2k users community,
I am facing problem when running berrypi, i followed the example of GaN, but i
am getting this error. How to solve it.
gan> berrypi -k6:6:6Traceback (most recent call last): File
"/home/ha/WIEN2k/SRC_BerryPI/BerryPI/berrypi", line 25, in import
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