chiq_fft

chiq_fft.py [-h] [-f FILE_BSE] [--input_dname INPUT_DNAME]
            [--output_dname OUTPUT_DNAME] [-w W]
            file_param

Description

chiq_fft.py is a script for performing Fast Fourier Transform (FFT) from q-domain to r-domain. The input HDF5 file should contain full-Brillouin-zone data computed by chiq_main.py or calc_Iq_scl.py with q-points generated by gen_allq.py. See Eq. (12) for the explicit equation.

Positional Arguments

file_param

Config file or HDF5 file. The config file should include:

• (nk0, nk1, nk2) or nk in the [model] section (DCore input),

• (Lx, Ly, Lz) in the [H0] section, or

• dft_h5file in the [DMFT] section.

Options

-h, –help

Show this help message and exit.

-f FILE_BSE, –file_bse FILE_BSE

Specify the input/output HDF5 file containing BSE data. Default is "dmft_bse.out.h5".

–input_dname INPUT_DNAME

Specify the input data name in the HDF5 file. Default is "I_q".

–output_dname OUTPUT_DNAME

Specify the output data name in the HDF5 file. Default is "I_r".

-w W

Specify the input/output frequency. Default is 0.

Example

Basic usage:

$ chiq_fft.py dcore.in