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Posted: **Wed Feb 21, 2024 4:25 am**

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!

Posted: **Thu Feb 22, 2024 9:34 am**

The raw data should be accesible via

Code: Select all

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

Posted: **Sat Feb 24, 2024 4:25 am**

It works, thanks!

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Using py4vasp to extract the raw data

Using py4vasp to extract the raw data

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Re: Using py4vasp to extract the raw data