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Changing distance along the kpath (QE)

6

Hi, i'm trying to plot the weyl semimetal band structure Firstly, I'm using pyprocar with quantum espresso Using the bands.in, I succeeded in creating the band plot I wanted. **bands.in...

Dos plot problem with QE

3

For developer, Using the example file , I tried to calculate the input files and fe.k.pdos_atm files came out in my QE env. ## data_dir = pyprocar.download_example(save_dir='', material='Fe', code='qe', spin_calc_type='non-spin-polarized',...

Questions about 2D fermi surface with QE

1

Dear developer, Hi, I'm interested in topological semimetals(weyl semimetals), so I want to plot the surface states(fermi arc) using the QE and pyprocar. In the Example about fermi 2D, it...

Problem with atomic orbital projection of slab 2d fermisurface using QE

13

Dear developer I think pyprocar is so useful to observe atomic orbital projection states. So I want to use the pyprocar code to observe the surface states in 2d fermisurfae....

Problem with qe non-collinear parametric bandsplot

2

Dear developer, I'm currently calculating the band structure of MoP. MoP is topological material, so I try to use non-collinear calculation with qe. Using the parametric mode, I want to...

Export bandplot data

1

For developer, For comparing scf band structure and wannier band structure, I exported pyprocar bandplot data. band.py ``` pyprocar.bandsplot(code='qe', fermi = 7.7617, fermi_shift = 7.7617, elimit = [3.7617,11.7617], mode='plain', dirname=data_dir,...

Problem with 2d fermi surface-vasp

1

For developer, Using the vasp code, I tried to analyze 2d fermi surface (001 plane). But, pyprocar result is weird. For the same vasprun.xml, I utilized other tool and result...