| Module | Source File | Description |
|---|---|---|
| w90_berry | berry.F90 | This module computes various "Berry phase" related properties |
| w90_boltzwann | boltzwann.F90 | Compute Boltzman tranport properties |
| w90_comms | comms.F90 | This module handles all of the communications |
| w90_constants | constants.F90 | This module contains the definitions of constants used in Wannier90 - both numerical constants such as pi and numerical convergence tolerances, but also physical constant such as the speed of light |
| w90_conv | w90chk2chk.F90 | Module to convert checkpoint files from formatted to unformmated and vice versa - useful for switching between computers |
| w90_conv_spn | w90spn2spn.F90 | Module to convert spn files from formatted to unformmated and vice versa - useful for switching between computers |
| w90_disentangle_mod | disentangle.F90 | This module contains the core routines to extract an optimal subspace from a set of entangled bands. |
| w90_dos | dos.F90 | Compute Density of States |
| w90_error | error.F90 | Module to handle errors |
| w90_error_base | error_base.F90 | Module to handle errors |
| w90_geninterp | geninterp.F90 | Generic Interpolation Routine |
| w90_get_oper | get_oper.F90 | Finds the Wannier matrix elements of various operators, starting from k-space matrices generated by an interface (e.g., pw2wannier90) to an ab initio package (e.g., quantum-espresso) |
| w90_gyrotropic | gyrotropic.F90 | This module computes various "gyrotropic" effects as described in : TAS17 = arXiv:1710.03204 (2017) Gyrotropic effects in trigonal tellurium studied from first principles S.S.Tsirkin, P. Aguado Puente, I. Souza |
| w90_hamiltonian | hamiltonian.F90 | Module to obtain the Hamiltonian in a Wannier basis This is a simplified routine, more sophisticated properties are found in postw90 (e.g. w90_get_oper) |
| w90_io | io.F90 | Module to handle operations related to file input and output. |
| w90_kmesh | kmesh.F90 | Routines to analyse the regular k-point mesh and determine the overlaps neccessary for a finite difference representation of the spread operator. These overlaps are defined by a set of vectors (b-vectors) which connect the Bloch states. See Eq. B1 in Appendix B of Marzari and Vanderbilt PRB 56 12847 (1997) |
| w90_kpath | kpath.F90 | Calculates quantities along a specified k-path: |
| w90_kslice | kslice.F90 | Plots the intersections of constant-energy isosurfaces with a BZ slice, and/or makes a heatmap plot on the slice: |
| w90_library | library_interface.F90 | container type for all variables used by the Wannier90 library |
| w90_library_c | c_interface.F90 | |
| w90_library_extra | library_extra.F90 | |
| w90_overlap | overlap.F90 | This module reads in the overlap (Mmn) and Projections (Amn) and performs simple operations on them. |
| w90_plot_mod | plot.F90 | This module handles various plots |
| w90_postw90_common | postw90_common.F90 | This contains the common variables and procedures needed to set up a Wannier interpolatation calculation for any physical property |
| w90_postw90_readwrite | postw90_readwrite.F90 | Read/write routines specific to postw90.x data types |
| w90_postw90_types | postw90_types.F90 | Here are defined types specific to postw90.x (not used by wannier90.x). Types used by both wannier90.x and postw90.x are defined in types.F90. Types specific to wannier90.x (not used by postw90.x) are defined in wannier90_types.F90. |
| w90_readwrite | readwrite.F90 | Common read/write routines for data needed by both wannier90.x and postw90.x executables |
| w90_sitesym | sitesym.F90 | Routines to impose the site symmetry during minimisation of spread |
| w90_spin | spin.F90 | Module to compute spin |
| w90_tetrahedron | tetrahedron.F90 | |
| w90_transport_mod | transport.F90 | Module to handle ballistic transport. Based on < dosqc_1.0 > Density Of States and Quantum Conductance - Version 1.0 Marco Buongiorno Nardelli, January 2000. Reference: - M. Buongiorno Nardelli, "Electronic transport in extended systems: application to carbon nanotubes", Phys. Rev. B, vol. 60(11), 7828 (1999) |
| w90_types | types.F90 | Definition of types encapsulating various quantities, data and parameters. Variables are grouped according to physical meaning and their use in the Wannier90 project. |
| w90_utility | utility.F90 | Module contains lots of useful general routines |
| w90_wan_ham | wan_ham.F90 | This module contain operations on the Hamiltonian in the WF basis |
| w90_wannier90_readwrite | wannier90_readwrite.F90 | Read/write routines specific to wannier90.x data types |
| w90_wannier90_types | wannier90_types.F90 | Here are defined types specific to wannier90.x (not used by postw90.x). Types used by both wannier90.x and postw90.x are defined in types.F90. Types specific to postw90.x (not used by wannier90.x) are defined in postw90/postw90_types.F90. |
| w90_wannierise_mod | wannierise.F90 | Main routines for the minimisation of the spread |
| w90_ws_distance | ws_distance.F90 | This module computes the optimal Wigner-Seitz cell around each Wannier function to use for interpolation. |
| w90chk_parameters | w90chk2chk.F90 | |
| w90spn_parameters | w90spn2spn.F90 | |
| wannchk_data | w90chk2chk.F90 |