iodata.formats.locpot module

VASP 5 LOCPOT file format.

This format is used by VASP 5.X and VESTA.

Note that even though the CHGCAR and LOCPOT files look very similar, they require different conversions to atomic units.

load_one(lit)

Load a single frame from a VASP 5 LOCPOT file.

Parameters

lit (LineIterator) – The line iterator to read the data from.

Returns

A dictionary with IOData attributes. The following attributes are guaranteed to be loaded: atcoords, atnums, cellvecs, cube, title.

Return type

data

Notes