tepkit.io.vasp.Eigenval

class tepkit.io.vasp.Eigenval

Bases: tepkit.io.StructuredTextFile

The class of EIGENVAL file for VASP.

Reference:

• https://www.vasp.at/wiki/index.php/EIGENVAL

• https://www.vasp.at/wiki/index.php/DOSCAR

• https://w.vasp.at/forum/viewtopic.php?p=20810

• https://sisl.readthedocs.io/en/latest/_modules/sisl/io/vasp/eigenval.html

Attributes

Attribute	Default Value	Description
default_file_name	'EIGENVAL'	The default name of file when use from_dir() .
data_columns	None
data	None
extra_data	None
df	None
soc	None

Properties

index_vbe	Get the band index of the Valence Band Edge (VBE).
index_cbe	Get the band index of the Conduction Band Edge (VBE).
energy_vbm
energy_cbm
energy_midgap

Methods

from_string(→ tepkit.utils.typing_tools.Self)	Parse the string to structured data.
get_band(index)

All Members

default_file_name = 'EIGENVAL'

The default name of file when use from_dir() .

data_columns

data

extra_data

df = None

soc: bool = None

classmethod from_string(string: str) → Self

Parse the string to structured data.

property index_vbe: int

Get the band index of the Valence Band Edge (VBE). (Start at 1)

property index_cbe: int

Get the band index of the Conduction Band Edge (VBE). (Start at 1)

property energy_vbm: float

property energy_cbm: float

property energy_midgap: float

get_band(index: str | int)