You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Hello;
i compiled the last version of bandup. i m using python 2.7 and as default and QE 6.4. when following the tutorial example 2 ( bulk Si) and in the step 4 i have an error:
You have compiled BandUP without support for QE!
and
unfolded_EBS_symmetry-averaged.dat does not exist or is not accessible.
i tried to solve the problem without success.
any suggestion!!!?
The text was updated successfully, but these errors were encountered:
It is true that there are problems with the new versions of QE, since 6.4, I think.
Could you try the new pythonic verison of BandUP https://github.com/band-unfolding/banduppy .
Please install it with pip3 install banduppy and try an example from the repository. In case of problems, please open an issue in that repository.
I have tested QE 6.1, 6.2 ... 6.6 and in all cases there were problems running unfolding wiht bandup. Then I have tried banduppy and it works well. @LoutfiLoutfi you can clone banduppy repository from git and then move to the tutorial folder. The example there deals exactly with QE. If you already have done all the calculations then the unfolding would be straightforward.
Hello;
i compiled the last version of bandup. i m using python 2.7 and as default and QE 6.4. when following the tutorial example 2 ( bulk Si) and in the step 4 i have an error:
i tried to solve the problem without success.
any suggestion!!!?
The text was updated successfully, but these errors were encountered: