Tieyuan BIAN

icon indicating a website link https://www.polyu.edu.hk/en/

icon company The hong kong polytechnic university icon location Hong kong icon location 2nd year PhD student in Hong Kong Polytechnic University. Interested in various topics in computation especially machine learning potential.

Results 6 comments of Tieyuan BIAN

How to change cutoff and displacement when using NEP potential to calculate phonon dispersion?

Thanks for your reply @mushroomfire! I'm looking forward for your implement. It seems that cutoff setting in NEP phonon calculation still have some misunderstanding between several developers.

Fermi 2d non collinear example is failing

Hi everyone, is this problem solved? I encountered the same problem and used VASP version 6.4.2

Fermi 2d non collinear example is failing

> pyprocar.fermi2D( > code="vasp", > dirname=dirname, > fermi=6.3596, > arrow_size=0.3, > energy=1, > spin_texture=True, > spin_projection="x", > plot_color_bar=True, > cmap="seismic", > # savefig=os.path.join(dirname, "fermi2d.png"), > ) Hi I met same...

Fermi 2d non collinear example is failing

> [@BianTieyuan](https://github.com/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....

Plot fermi2D failed: tuple index out of range

> Hey [@BianTieyuan](https://github.com/BianTieyuan), > > I think this might be related to the same issue you raised in Issue [#184](https://github.com/romerogroup/pyprocar/issues/184). I think it has to do with the k mesh...

Plot fermi2D failed: tuple index out of range

> Hey [@BianTieyuan](https://github.com/BianTieyuan), > > I've made a correction to the handling of the `band_indices` argument. Previously, it strictly required a list of lists of integers (e.g., [[1, 2], [3,...