w90_overlap Module

  1. overlap.F90
  2. w90_overlap

This module reads in the overlap (Mmn) and Projections (Amn) and performs simple operations on them.


Uses

  • module~~w90_overlap~~UsesGraph module~w90_overlap w90_overlap module~w90_constants w90_constants module~w90_overlap->module~w90_constants module~w90_comms w90_comms module~w90_overlap->module~w90_comms module~w90_parameters w90_parameters module~w90_overlap->module~w90_parameters module~w90_io w90_io module~w90_overlap->module~w90_io module~w90_comms->module~w90_constants module~w90_comms->module~w90_io module~w90_parameters->module~w90_constants module~w90_parameters->module~w90_io module~w90_io->module~w90_constants

Used by

  • module~~w90_overlap~~UsedByGraph module~w90_overlap w90_overlap program~wannier wannier program~wannier->module~w90_overlap proc~wannier_run wannier_run proc~wannier_run->module~w90_overlap

Contents

Subroutines


Subroutines

public subroutine overlap_allocate()

Allocate memory to read Mmn and Amn from files This must be called before calling overlap_read

Arguments

None

public subroutine overlap_read()

Read the Mmn and Amn from files Note: one needs to call overlap_allocate first!

Arguments

None

private subroutine overlap_rotate()

Only used when interfaced to the CP code Not sure why this is done here and not in CP

Arguments

None

public subroutine overlap_dealloc()

Dellocate memory

Arguments

None

public subroutine overlap_project()

Construct initial guess from the projection via a Lowdin transformation See section 3 of the CPC 2008 Note that in this subroutine num_wann = num_bands since, if we are here, then disentanglement = FALSE

Arguments

None

public subroutine overlap_project_gamma()

Construct initial guess from the projection via a Lowdin transformation See section 3 of the CPC 2008 Note that in this subroutine num_wann = num_bands since, if we are here, then disentanglement = FALSE Gamma specific version

Arguments

None