[ase-users] Loading a previously completed calculation (vasp)

[Johannes Wagner]

Hi again!

I have another question I can not seem to figure out from the manual.

I have a large set of already finished bandstructure calculations done 
in vasp. I would now like to use ase to plot the band structures and 
calculate the band gap. usually all information is stored in the vasprun.xml

is there a way to import that one directly to ase to keep working with?

thank you and have a good weekend!

-- 
Dr rer nat Johannes Wagner

Sektion 3.6
Chemistry and Physics of Earth Materials

Tel +49(0)331-288-27558
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