Logan Lang

Results 46 comments of Logan Lang

Hello David, If you could, could you try to install the master branch on github. We have made some changes since then, so the newer version may be able to...

Hey kaiqi-wang! This issue is happening because we have updated bandsplot.py. I need to update scripts/procar.py to reflect these changes. In the meantime, you can either create a python script...

Hey I just wanted to add, you can find the changes in Pyprocar2. It is also found in the dev branch of the pyprocar repo. Pyprocar2 was a directory I...

Hello Jorge, the "savesigma=.true. " flag is used in a branch of quantum espresso. In the master branch of quantum espresso, they do not give access to the spin texture...

Sure! Is this the Fe example or is this another material? If it is another material could you share the outputs in a zip file? This problem is usually caused...

I have been looking into the issue and I think it is related to when we apply symmetry operations. To test this, could you rerun the VASP calculation and set...

Hello! The problem now is that the parser is trying to get the symmetry rotations despite none. I can't fix this immediately, I will try to make the changes today....

Good news! With that PROCAR I was able to generate the fermi surface, so that means the symmetry was definitely the issue. Now bear with me as I try to...

Hey! I just fixed this issue and pushed it to GitHub. When generating the surface, you have to do it by band. At the end we combine all the band...

Hey, sorry for the late response. Currently, we are having problems with the symmetry. I just updated the docs to tell users to turn off symmetry for fermi surface calculations...