Using py4vasp to extract the raw data

[alexander_duong]

Hello,

If I would like to extract the raw data from the vaspout.h5 file after doing a band structure calculation, how could I do so using py4vasp?

Thanks!

[ferenc_karsai]

The raw data should be accesible via

Code: Select all

import py4vasp
calc = py4vasp.Calculation.from_path("/path/to/calculation")
calc.band.read()

[alexander_duong]

It works, thanks!