vaspio

plovasp.vaspio

Input of required VASP data.

Six VASP files are required:

  • PROJCAR

  • LOCPROJ

  • POSCAR

  • IBZKPT

  • EIGENVAL

  • DOSCAR

Functions

read_lines(filename)

Generator of lines for a file

read_symmcar(vasp_dir[, symm_filename])

Reads SYMMCAR.

Classes

Doscar()

Class containing some data from DOSCAR

Eigenval()

Class containing Kohn-Sham-eigenvalues data from VASP (EIGENVAL file).

Kpoints()

Class describing k-points and optionally tetrahedra.

Plocar()

Class containing raw PLO data from VASP.

Poscar()

Class containing POSCAR data from VASP.

VaspData(vasp_dir[, read_all, efermi_required])

Container class for all VASP data.