3.6.11. horton.io.vasp – VASP POSCAR, CHGCAR and POTCAR file formats

horton.io.vasp.load_chgcar(filename)

Reads a vasp 5 chgcar file.

Arguments:

filename
The VASP filename

Returns: a dictionary containing: title, coordinates, numbers, cell, grid, cube_data.

horton.io.vasp.load_locpot(filename)

Reads a vasp 5 locpot file.

Arguments:

filename
The VASP filename

Returns: a dictionary containing: title, coordinates, numbers, cell, grid, cube_data.

horton.io.vasp.load_poscar(filename)

Reads a vasp 5 poscar file.

Arguments:

filename
The VASP filename

Returns: a dictionary containing: title, coordinates, numbers, cell.

horton.io.vasp.dump_poscar(filename, data)

Write a file in VASP’s POSCAR format

Arguments:

filename
The name of the file to be written. This is usually POSCAR.
data
An IOData instance. Must contain coordinates, numbers, cell. May contain title.