castep_outputs.parsers.efield_file_parser

Parse castep .efield files.

Functions

parse_efield_file(efield_file)

Parse castep .efield file.

Classes

EFieldInfo	Electronic field response information.
EFieldTensor	Standard efield tensor of Voigt components + frequency.

class castep_outputs.parsers.efield_file_parser.EFieldInfo

Bases: TypedDict

Electronic field response information.

branches: int

Number of phonon branches.

frequencies: int

Number of frequencies.

ions: int

Number of ions in system.

oscillator_Q: list[float]

Oscillator Q.?

oscillator_strengths: EFieldTensor

Oscillator strengths in (D/A)**2 / amu.

permittivity: EFieldTensor

Electrical permittivity.

class castep_outputs.parsers.efield_file_parser.EFieldTensor

Bases: TypedDict

Standard efield tensor of Voigt components + frequency.

castep_outputs.parsers.efield_file_parser.parse_efield_file(efield_file)

Parse castep .efield file.

Parameters:

efield_file (TextIO) – Open handle to file to parse.

Returns:

Parsed info.

Return type:

EFieldInfo