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Anoop Chandran
fleur
Commits
20369cec
Commit
20369cec
authored
Jun 29, 2016
by
Gregor Michalicek
Browse files
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Added copyright notices to all files in the wannier subdirectory
parent
90f0bada
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74 changed files
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444 additions
and
0 deletions
+444
-0
wannier/eulerrot.f
wannier/eulerrot.f
+6
-0
wannier/w90kpunktgen.f
wannier/w90kpunktgen.f
+6
-0
wannier/wann_2dvacabcof.F
wannier/wann_2dvacabcof.F
+6
-0
wannier/wann_abinv.f
wannier/wann_abinv.f
+6
-0
wannier/wann_amn.f
wannier/wann_amn.f
+6
-0
wannier/wann_anglmom.f
wannier/wann_anglmom.f
+6
-0
wannier/wann_dipole.f
wannier/wann_dipole.f
+6
-0
wannier/wann_dipole2.f
wannier/wann_dipole2.f
+6
-0
wannier/wann_dipole3.f
wannier/wann_dipole3.f
+6
-0
wannier/wann_dipole_electronic.f
wannier/wann_dipole_electronic.f
+6
-0
wannier/wann_dipole_ionic.f
wannier/wann_dipole_ionic.f
+6
-0
wannier/wann_dipole_takehome.f
wannier/wann_dipole_takehome.f
+6
-0
wannier/wann_fft4.f
wannier/wann_fft4.f
+6
-0
wannier/wann_fft5.f
wannier/wann_fft5.f
+6
-0
wannier/wann_get_kpts.f
wannier/wann_get_kpts.f
+6
-0
wannier/wann_get_mp.f
wannier/wann_get_mp.f
+6
-0
wannier/wann_hopping.F
wannier/wann_hopping.F
+6
-0
wannier/wann_ioncharge_gen.f
wannier/wann_ioncharge_gen.f
+6
-0
wannier/wann_kpointgen.f
wannier/wann_kpointgen.f
+6
-0
wannier/wann_kptsreduc.f
wannier/wann_kptsreduc.f
+6
-0
wannier/wann_kptsreduc2.f
wannier/wann_kptsreduc2.f
+6
-0
wannier/wann_kptsrotate.F
wannier/wann_kptsrotate.F
+6
-0
wannier/wann_lapw_int_plot.f
wannier/wann_lapw_int_plot.f
+6
-0
wannier/wann_lapw_sph_plot.f
wannier/wann_lapw_sph_plot.f
+6
-0
wannier/wann_mmk0_od_vac.F
wannier/wann_mmk0_od_vac.F
+6
-0
wannier/wann_mmk0_sph.f
wannier/wann_mmk0_sph.f
+6
-0
wannier/wann_mmk0_updown_sph.f
wannier/wann_mmk0_updown_sph.f
+6
-0
wannier/wann_mmk0_vac.F
wannier/wann_mmk0_vac.F
+6
-0
wannier/wann_mmkb_int.F
wannier/wann_mmkb_int.F
+6
-0
wannier/wann_mmkb_od_vac.F
wannier/wann_mmkb_od_vac.F
+6
-0
wannier/wann_mmkb_sph.F
wannier/wann_mmkb_sph.F
+6
-0
wannier/wann_mmkb_vac.F
wannier/wann_mmkb_vac.F
+6
-0
wannier/wann_mmnk_symm.f
wannier/wann_mmnk_symm.f
+6
-0
wannier/wann_nabla_pauli_rs.f
wannier/wann_nabla_pauli_rs.f
+6
-0
wannier/wann_nabla_rs.f
wannier/wann_nabla_rs.f
+6
-0
wannier/wann_optional.f
wannier/wann_optional.f
+6
-0
wannier/wann_orbcomp.f
wannier/wann_orbcomp.f
+6
-0
wannier/wann_pauli_rs.f
wannier/wann_pauli_rs.f
+6
-0
wannier/wann_perpmag_rs.f
wannier/wann_perpmag_rs.f
+6
-0
wannier/wann_plot.F
wannier/wann_plot.F
+6
-0
wannier/wann_plot_from_lapw.f
wannier/wann_plot_from_lapw.f
+6
-0
wannier/wann_plot_symm.f
wannier/wann_plot_symm.f
+6
-0
wannier/wann_plot_um_dat.F
wannier/wann_plot_um_dat.F
+6
-0
wannier/wann_plot_vac.F
wannier/wann_plot_vac.F
+6
-0
wannier/wann_plotw90.F
wannier/wann_plotw90.F
+6
-0
wannier/wann_postproc.F
wannier/wann_postproc.F
+6
-0
wannier/wann_postproc_setup.f
wannier/wann_postproc_setup.f
+6
-0
wannier/wann_projgen.F
wannier/wann_projgen.F
+6
-0
wannier/wann_projmethod.F
wannier/wann_projmethod.F
+6
-0
wannier/wann_rad_twf.f
wannier/wann_rad_twf.f
+6
-0
wannier/wann_radovlp_integrals.F
wannier/wann_radovlp_integrals.F
+6
-0
wannier/wann_read_inp.f
wannier/wann_read_inp.f
+6
-0
wannier/wann_read_umatrix.F
wannier/wann_read_umatrix.F
+6
-0
wannier/wann_readcenters.f
wannier/wann_readcenters.f
+6
-0
wannier/wann_real.F
wannier/wann_real.F
+6
-0
wannier/wann_rmat.f
wannier/wann_rmat.f
+6
-0
wannier/wann_rw_eig.F
wannier/wann_rw_eig.F
+6
-0
wannier/wann_socmat.F
wannier/wann_socmat.F
+6
-0
wannier/wann_socmat_rs.f
wannier/wann_socmat_rs.f
+6
-0
wannier/wann_tlmw.f
wannier/wann_tlmw.f
+6
-0
wannier/wann_ujugaunt.F
wannier/wann_ujugaunt.F
+6
-0
wannier/wann_updown.F
wannier/wann_updown.F
+6
-0
wannier/wann_w90kpointgen.f
wannier/wann_w90kpointgen.f
+6
-0
wannier/wann_wan90prep.f
wannier/wann_wan90prep.f
+6
-0
wannier/wann_wannierize.f
wannier/wann_wannierize.f
+6
-0
wannier/wann_wigner_seitz.f
wannier/wann_wigner_seitz.f
+6
-0
wannier/wann_write_amn.F
wannier/wann_write_amn.F
+6
-0
wannier/wann_write_hsomtx.F
wannier/wann_write_hsomtx.F
+6
-0
wannier/wann_write_matrix4.F
wannier/wann_write_matrix4.F
+6
-0
wannier/wann_write_matrix5.F
wannier/wann_write_matrix5.F
+6
-0
wannier/wann_write_mmnk.F
wannier/wann_write_mmnk.F
+6
-0
wannier/wann_write_nabla.F
wannier/wann_write_nabla.F
+6
-0
wannier/wannier.F
wannier/wannier.F
+6
-0
wannier/wannier_to_lapw.F
wannier/wannier_to_lapw.F
+6
-0
No files found.
wannier/eulerrot.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
************************************
c
Perform
Euler
rotations
.
...
...
wannier/w90kpunktgen.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
generate
equidistant
k
-
point
mesh
as
needed
c
for
wannier
functions
...
...
wannier/wann_2dvacabcof.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
********************************************************
...
...
wannier/wann_abinv.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
SUBROUTINE
wann_abinv
(
...
...
wannier/wann_amn.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_anglmom.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
***********************************************************************
c
Compute
matrix
elements
of
angular
momentum
operator
...
...
wannier/wann_dipole.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_dipole2.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
Calculate
the
electric
polarization
.
c
Frank
Freimuth
,
October
2006
...
...
wannier/wann_dipole3.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_dipole3
(
...
...
wannier/wann_dipole_electronic.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_dipole_ionic.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_dipole_ionic
(
...
...
wannier/wann_dipole_takehome.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_dipole_takehome
(
...
...
wannier/wann_fft4.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_fft4
(
...
...
wannier/wann_fft5.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_fft5
(
...
...
wannier/wann_get_kpts.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_get_mp.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_hopping.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_ioncharge_gen.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_ioncharge_gen
(
...
...
wannier/wann_kpointgen.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
private
...
...
wannier/wann_kptsreduc.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_kptsreduc2.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_kptsrotate.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
****************************************
c
Rotate
the
wave
function
.
...
...
wannier/wann_lapw_int_plot.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
***************************************************************
...
...
wannier/wann_lapw_sph_plot.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
*****************************************************************
...
...
wannier/wann_mmk0_od_vac.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
**************************************************************
...
...
wannier/wann_mmk0_sph.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
***********************************************************************
c
computes
the
Mmn
(
K
)
matrix
elements
which
are
the
overlaps
...
...
wannier/wann_mmk0_updown_sph.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
CONTAINS
SUBROUTINE
wann_mmk0_updown_sph
(
...
...
wannier/wann_mmk0_vac.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
**************************************************************
...
...
wannier/wann_mmkb_int.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_mmkb_int
(
...
...
wannier/wann_mmkb_od_vac.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
**************************************************************
c
Determines
the
overlap
matrix
Mmn
(
k
,
k
+
b
)
in
the
vacuum
...
...
wannier/wann_mmkb_sph.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_mmkb_sph
(
...
...
wannier/wann_mmkb_vac.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
**************************************************************
...
...
wannier/wann_mmnk_symm.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
private
...
...
wannier/wann_nabla_pauli_rs.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
Calculate
the
matrix
elements
of
the
c
Pauli
*
Momentum
matrix
in
real
space
from
the
...
...
wannier/wann_nabla_rs.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_optional.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_orbcomp.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
c
*************************************************************************
c
Compute
matrix
elements
of
the
first
16
angular
momentum
projectors
...
...
wannier/wann_pauli_rs.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
USE
m_juDFT
contains
...
...
wannier/wann_perpmag_rs.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_plot.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
last
update
:
27.10.06
by
FF
...
...
wannier/wann_plot_from_lapw.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
...
...
wannier/wann_plot_symm.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
CONTAINS
SUBROUTINE
wann_plot_symm
(
jspin
,
mrot
,
ikpt
,
kplot
,
l_conjugate
)
...
...
wannier/wann_plot_um_dat.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
******************************************************************
...
...
wannier/wann_plot_vac.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
c
**************************************************************
...
...
wannier/wann_plotw90.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
...
...
wannier/wann_postproc.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_postproc
(
...
...
wannier/wann_postproc_setup.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
CONTAINS
SUBROUTINE
wann_postproc_setup
(
...
...
wannier/wann_projgen.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
contains
subroutine
wann_projgen
(
...
...
wannier/wann_projmethod.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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
use
m_juDFT
contains
...
...
wannier/wann_rad_twf.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_rad_twf
use
m_juDFT
contains
...
...
wannier/wann_radovlp_integrals.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_radovlp_integrals
contains
subroutine
wann_radovlp_integrals
(
...
...
wannier/wann_read_inp.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_read_inp
contains
subroutine
wann_read_inp
(
...
...
wannier/wann_read_umatrix.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_read_umatrix
use
m_juDFT
c
************************************************************
...
...
wannier/wann_readcenters.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_readcenters
use
m_juDFT
contains
...
...
wannier/wann_real.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_real
c
********************************************************
c
calculates
the
value
of
the
periodic
part
of
the
...
...
wannier/wann_rmat.f
View file @
20369cec
!--------------------------------------------------------------------------------
! 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_rmat
USE
m_fleurenv
contains
...
...
wannier/wann_rw_eig.F
View file @
20369cec
!--------------------------------------------------------------------------------
! 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.
!--------------------------------------------------------------------------------