tepkit.io.vasp.Outcar

tepkit.io.vasp.Outcar#

class tepkit.io.vasp.Outcar#

Bases: tepkit.io.StructuredTextFile

The class for text file with special structure.

Attributes#

Attribute

Default Value

Description

default_file_name

'OUTCAR'

The default name of file when use from_dir() .

Properties#

fermi_energy

Methods#

job_state(→ tepkit.core.vasp.VaspState)

get_piezoelectric_stress_tensors(→ dict)

All Members#

default_file_name = 'OUTCAR'

The default name of file when use from_dir() .

property fermi_energy: float
job_state() → tepkit.core.vasp.VaspState
get_piezoelectric_stress_tensors(cell_z: Annotated[float, Literal['Ang']] | None = None, only_xy: bool = False) → dict