| Module | Source File | Description |
|---|---|---|
| fftpack5 | cfftnd.f90 | |
| intw_allwfcs | all_wfcs.f90 | This module contains variables and subroutines for obtaining wave functions. |
| intw_fft | fft.f90 | This module contains variables and subroutines for handling most of the g -> r and r -> g transformations using FFT. |
| intw_fft_interp | fft_interp.f90 | 29/11/2024: This module is not used anywhere and it is not tested, so it could be removed. |
| intw_input_parameters | input_parameters.f90 | This module contains the definitions of all input parameters for INTW as well as subroutines for reading and checking the input. |
| intw_intw2wannier | intw2wannier.f90 | This module contains variables and subroutines to perform the same tasks as the Quantum Espresso post-processing program "pw2wannier90", but using symmetries. |
| intw_matrix_elements | matrix_elements.f90 | This module contains subroutines for computing matrix elements of operators between wave functions, particularly for plane wave matrix elements. |
| intw_matrix_vector | matrix_vector.f90 | This module contains functions and subroutines for matrix and vector operations. |
| intw_ph | ph_module.f90 | This module contains the main variables related to phonon modes. |
| intw_ph_interpolate | ph_interpolate.f90 | This module contains the necessary tools for interpolating phonons. |
| intw_pseudo | intw_pseudo.f90 | This module contains the pseudo-potentials in intwpseudo type, and the subroutine read_all_pseudo for reading them from the PP files. |
| intw_pseudo_local | intw_pseudo_local.f90 | This module contains variables and subroutines for obtaining the local part of the pseudo-potentials. |
| intw_pseudo_non_local | intw_pseudo_non_local.f90 | This module contains variables and subroutines for obtaining the non-local part of the pseudo-potentials. |
| intw_reading | reading.f90 | This module contains variables and subroutines for reading and managing input data from DFT calculations. |
| intw_symmetries | symmetries.f90 | This module handles the space group symmetry operations. |
| intw_useful_constants | useful_constants.f90 | This module defines useful constants including mathematical values, physical constants, conversion factors, and Pauli matrices. |
| intw_utility | utility.f90 | This module contains useful functions and subroutines that implement common tasks. |
| intw_version | version.f90 | This module handles the version information of INTW. |
| intw_w90_setup | w90_setup.f90 | This module contains subroutines and variables for reading and storing Wannier90 data, and for preforming Wannier interpolation. |
| kinds | kinds.f90 | This module defines kind parameters for specifying the precision of real and integer variables. |
| triFS_geometry | geometry.f90 | This module contains all the necessary variables and subroutines related to triangles and tetrahedra for triFS utility. |
| triFS_input_parameters | triFS.f90 | This module contains the definitions of input parameters for triFS utility. |
| triFS_isosurface | isosurface.f90 | This module contains all the variables and subroutines for reading Wannier hamiltonian and creating symmetric isosurface for triFS utility. |
| triFS_mesh_opt | mesh_opt.f90 | This module contains all the necessary subroutines for optimizing a triangulated FS mesh for triFS utility. |