vasppy icon indicating copy to clipboard operation
vasppy copied to clipboard

Doscar class doesn’t handle simple DOSCAR outputs well

Open bjmorgan opened this issue 4 years ago • 0 comments

The DOSCAR class currently raises an error for DOSCAR files that do not include pDOS data.

e.g. https://github.com/bjmorgan/vasppy/issues/13

It would be helpful if the parser checks whether there is pDOS data present and can report appropriately. And / or allows simple DOS datasets to be loaded.

bjmorgan avatar Jul 07 '20 08:07 bjmorgan