good-mood-everyday
good-mood-everyday
I'm learning to use wanniertool and I found the biggest problem is getting the correct structure. I ran the example of Bi2Se3 and can easily get correct results. There's also...
I typed the command 'pyw90 pre band'. Finally it shows error: TypeError: argument of type 'NoneType' is not iterable. This is the soc calculation (non-collinear). Does it support the soc...
The example uses the following: fermiHandler.plot_fermi_cross_section( slice_normal=slice_normal, slice_origin=slice_origin, cross_section_slice_linewidth=line_width, mode="spin_texture", spin_texture=True, arrow_size=0.5, save_2d_slice=save_2d_slice, show=True,) But if I change mode to plain, and delete the spin_texture and arrow_size, or other arguments,...
When i plot fermi surface, it always shows the error: ValueError: invalid literal for int() with base 10: 'Subroutine'. The code is below and full error log is at the...
I tried the code on the same system. It works well without SOC but shows error with SOC. I'm using pyprocar v6.5.0 and vasp 5.4.4. Is this because version not...
Dear admin, Starting VASP 6.3.0, it has a new method for plotting hybrid/meta-GGA band, and from them it seems that this way is better than traditional method. [Band-structure calculation using...
Dear developer, I found that the data in my plot from pyprocar is different from the data I extracted, and there's error when i use `export_data_file` in `dosplot` to extract...