Logan Lang

Results 137 comments of Logan Lang

I just pushed a change, I believe the issue is fixed now. Can you try to see if it works for your example?

Hey, to get these projections it is somewhat more complicated. In base Quantum Espresso, for non-colinear calculations, they only provide the projections in the total angular momentum basis. Previously, we...

Hey, could you share the OUTCAR, PROCAR, KPOINTS, and INCAR? Given the output, I do not know exactly what is going wrong. The second output seems to suggestion an issue...

Hey, I found the issue. It was in the way we handle the missing symmetry operations when symmetry is turned off. I have made a change and deploy the new...

@BianTieyuan I found the issue causing your problem. I made a change, but I was check I tried to confirm it will generate a surface. However, it did not. What...

Hey @BianTieyuan, Okay I think I have sorted everything out. Initially there was an issue where it was trying to apply symmetry operation when symmetry was turned of. I have...

Hey [ubaidjmi](https://github.com/ubaidjmi), I need more information to solve this issue. What code are you using and do you have the inputs? I would guess this is quantum espresso. Logan Lang

Do you have the INCAR, KPOINTS, and POSCAR?

Thanks, I am running a spin-polarized calculation without spin-orbit right now. Hopefully, it won't take too long to converge. Then I will try to see what the issue is. I...

Hey, I calculated the band structure for your system with spin-orbit included and it came out correct. What version of pyprocar are you using? ![image](https://github.com/user-attachments/assets/17eb60d2-5903-4dc1-ac2a-57ece33d9616) > If you are wondering...