Logan Lang

Results 137 comments of Logan Lang

Hey @recohen, sorry for the late reply. I have been out of town. Without looking directly at the vasprun.xml, I can't really say what is causing this. I think I...

Just to add some context for this pr: I was able to reproduce this build failure on a clean system: - **OS:** Ubuntu 24.04 LTS (x86_64) - **Compiler:** GCC 13.3.0...

Hey, The issue is the translate, general rotation, and rot_symmetry_z are not applied in the spin texture case. So, the relevant code is in [scriptFermi2D.py](https://github.com/romerogroup/pyprocar/blob/main/pyprocar/scripts/scriptFermi2D.py): ```python if spin_texture is True:...

Hey, I just want to let you know this is on my to-do list. I will try to get to it as soon as possible. Hopefully today, schedule be willing.

Hey, Interesting. Could you send me the data so I can check what is going on?

Hey @streltsovsergey, could you also send the OUTCAR as well? Also, I find the issue I removed adding the spin_index when I made some changes to the Fermi Surface code...

Hey @GoldFreind, I am looking into this now. Could you send me the OUTCAR, PROCAR, KPOINTS, and the vasprun.xml so I can take a closer look at this? Could you...

Hey @GoldFreind, I saw you comment on the other issue. I believe I solved this issue. The issue was not include `!` before the kpoints. Now it should work regardless...

So the band structure looks okay to me on my system. Can you try. I added `use_cache=False`. I think it is reading the previously parsed data. In the future I...

Hey @avaspzuiniubi, sorry for the late reply. I have been moving cities. Yes it does, however we normalize to a scale of (0-1). We should be normalizing to (-0.5,0.5) by...