2.2. Read standard input data file

Read the standard input data file.

qha.basic_io.read_input.read_input(inp)

Read the standard “input” file for qha.

Parameters

inp (Union[str, PurePath]) – The filename or its path.

Return type

Tuple[int, array(float64, 1d, A), array(float64, 1d, A), array(float64, 3d, A), array(float64, 1d, A)]

Returns

The input data. They are

• the number of formula unit in a unit cell,

• the number of volumes in inp,

• the static energies of each volume,

• a 3D array, i.e., the frequencies of each volume of each q-point of each mode, and

• a vector of weights of each q-point, respectively.