castep_outputs.parsers.efield_file_parser

castep_outputs.parsers.efield_file_parser#

Parse castep .efield files.

Functions

parse_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[source]#

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[source]#

Bases: TypedDict

Standard efield tensor of Voigt components + frequency.

castep_outputs.parsers.efield_file_parser.parse_efield_file(efield_file)[source]#
castep_outputs.parsers.efield_file_parser.parse_efield_file(efield_file)
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

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