Commit 20369cec authored by Gregor Michalicek's avatar Gregor Michalicek

Added copyright notices to all files in the wannier subdirectory

parent 90f0bada
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_eulerrot module m_eulerrot
c************************************ c************************************
c Perform Euler rotations. c Perform Euler rotations.
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
c************************************************ c************************************************
c generate equidistant k-point mesh as needed c generate equidistant k-point mesh as needed
c for wannier functions c for wannier functions
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_2dvacabcof MODULE m_wann_2dvacabcof
use m_juDFT use m_juDFT
c******************************************************** c********************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_abinv module m_wann_abinv
contains contains
SUBROUTINE wann_abinv( SUBROUTINE wann_abinv(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_amn module m_wann_amn
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_anglmom MODULE m_wann_anglmom
c*********************************************************************** c***********************************************************************
c Compute matrix elements of angular momentum operator c Compute matrix elements of angular momentum operator
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_dipole module m_wann_dipole
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
c******************************************************** c********************************************************
c Calculate the electric polarization. c Calculate the electric polarization.
c Frank Freimuth, October 2006 c Frank Freimuth, October 2006
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_dipole3 module m_wann_dipole3
contains contains
subroutine wann_dipole3( subroutine wann_dipole3(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_dipole_electronic module m_wann_dipole_electronic
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_dipole_ionic module m_wann_dipole_ionic
contains contains
subroutine wann_dipole_ionic( subroutine wann_dipole_ionic(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_dipole_takehome module m_wann_dipole_takehome
contains contains
subroutine wann_dipole_takehome( subroutine wann_dipole_takehome(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_fft4 module m_wann_fft4
contains contains
subroutine wann_fft4( subroutine wann_fft4(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_fft5 module m_wann_fft5
contains contains
subroutine wann_fft5( subroutine wann_fft5(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_get_kpts module m_wann_get_kpts
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_get_mp module m_wann_get_mp
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_hopping module m_wann_hopping
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_ioncharge_gen module m_wann_ioncharge_gen
contains contains
subroutine wann_ioncharge_gen( subroutine wann_ioncharge_gen(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_kpointgen module m_wann_kpointgen
use m_juDFT use m_juDFT
private private
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_kptsreduc module m_wann_kptsreduc
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_kptsreduc2 module m_wann_kptsreduc2
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_kptsrotate module m_wann_kptsrotate
c**************************************** c****************************************
c Rotate the wave function. c Rotate the wave function.
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_lapw_int_plot MODULE m_wann_lapw_int_plot
c*************************************************************** c***************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_lapw_sph_plot MODULE m_wann_lapw_sph_plot
c***************************************************************** c*****************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmk0_od_vac MODULE m_wann_mmk0_od_vac
use m_juDFT use m_juDFT
c************************************************************** c**************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmk0_sph MODULE m_wann_mmk0_sph
c*********************************************************************** c***********************************************************************
c computes the Mmn(K) matrix elements which are the overlaps c computes the Mmn(K) matrix elements which are the overlaps
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmk0_updown_sph MODULE m_wann_mmk0_updown_sph
CONTAINS CONTAINS
SUBROUTINE wann_mmk0_updown_sph( SUBROUTINE wann_mmk0_updown_sph(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmk0_vac MODULE m_wann_mmk0_vac
use m_juDFT use m_juDFT
c************************************************************** c**************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_mmkb_int module m_wann_mmkb_int
contains contains
subroutine wann_mmkb_int( subroutine wann_mmkb_int(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmkb_od_vac MODULE m_wann_mmkb_od_vac
c************************************************************** c**************************************************************
c Determines the overlap matrix Mmn(k,k+b) in the vacuum c Determines the overlap matrix Mmn(k,k+b) in the vacuum
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmkb_sph MODULE m_wann_mmkb_sph
contains contains
subroutine wann_mmkb_sph( subroutine wann_mmkb_sph(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_mmkb_vac MODULE m_wann_mmkb_vac
use m_juDFT use m_juDFT
c************************************************************** c**************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_mmnk_symm module m_wann_mmnk_symm
use m_juDFT use m_juDFT
private private
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
c************************************************* c*************************************************
c Calculate the matrix elements of the c Calculate the matrix elements of the
c Pauli*Momentum matrix in real space from the c Pauli*Momentum matrix in real space from the
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_nabla_rs module m_wann_nabla_rs
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_optional module m_wann_optional
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_orbcomp MODULE m_wann_orbcomp
c************************************************************************* c*************************************************************************
c Compute matrix elements of the first 16 angular momentum projectors c Compute matrix elements of the first 16 angular momentum projectors
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_pauli_rs module m_wann_pauli_rs
USE m_juDFT USE m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_perpmag_rs module m_wann_perpmag_rs
use m_juDFT use m_juDFT
contains contains
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_plot MODULE m_wann_plot
use m_juDFT use m_juDFT
c last update: 27.10.06 by FF c last update: 27.10.06 by FF
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_plot_from_lapw MODULE m_wann_plot_from_lapw
use m_juDFT use m_juDFT
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_plot_symm MODULE m_wann_plot_symm
CONTAINS CONTAINS
SUBROUTINE wann_plot_symm(jspin,mrot,ikpt,kplot,l_conjugate) SUBROUTINE wann_plot_symm(jspin,mrot,ikpt,kplot,l_conjugate)
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_plot_um_dat MODULE m_wann_plot_um_dat
use m_juDFT use m_juDFT
c****************************************************************** c******************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_plot_vac MODULE m_wann_plot_vac
use m_juDFT use m_juDFT
c************************************************************** c**************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_plotw90 MODULE m_wann_plotw90
use m_juDFT use m_juDFT
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_postproc module m_wann_postproc
contains contains
subroutine wann_postproc( subroutine wann_postproc(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_wann_postproc_setup MODULE m_wann_postproc_setup
CONTAINS CONTAINS
SUBROUTINE wann_postproc_setup( SUBROUTINE wann_postproc_setup(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_projgen module m_wann_projgen
contains contains
subroutine wann_projgen( subroutine wann_projgen(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
module m_wann_projmethod module m_wann_projmethod
use m_juDFT use m_juDFT
contains contains
......