Commit 9bb38a66 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_convert_fleur_w90.F90: make use of m_constants

parent 801efe3f
......@@ -3,6 +3,7 @@
subroutine wann_convert_fleur_w90(jspins_in,l_nocosoc,wann)
use m_types
use m_juDFT
use m_constants
IMPLICIT NONE
integer,intent(in) :: jspins_in
logical,intent(in) :: l_nocosoc
......@@ -29,7 +30,7 @@
integer :: dummy1,dummy2,dummy3,dummy4,dummy5,dummy6
integer :: spin1,spin2,spinmat_dims,ikpt,dir,ii,jj
real :: conversionfactor
real,parameter :: hart=27.21138505
! real,parameter :: hart=27.21138505 !take from m_constants
integer :: jj_tmp,ii_tmp,j_tmp,i_tmp,dir_tmp,ikpt_tmp,test_tmp
integer :: write_bands,firstband
integer :: map3(3)
......@@ -184,7 +185,7 @@
filestoread=1
filenameread(1)='updown.perpmag_unf'
filenamewrite='WF1.tor'
conversionfactor=hart
conversionfactor=hartree_to_ev_const
map3(1)=2
map3(2)=1
......@@ -196,7 +197,7 @@
filestoread=1
filenameread(1)='updown.perpmag'
filenamewrite='WF1.tor'
conversionfactor=hart
conversionfactor=hartree_to_ev_const
map3(1)=2
map3(2)=1
......@@ -208,7 +209,7 @@
filestoread=1
filenameread(1)='updown.perpmag'
filenamewrite='WF1.tor'
conversionfactor=hart
conversionfactor=hartree_to_ev_const
map3(1)=2
map3(2)=1
......@@ -220,7 +221,7 @@
filestoread=1
filenameread(1)='updown.perpmag_unf'
filenamewrite='WF1.tor'
conversionfactor=hart
conversionfactor=hartree_to_ev_const
map3(1)=2
map3(2)=1
......@@ -235,7 +236,7 @@
l_spinmat=.true.
l_conjg=.true.
spinmat_dims=3
conversionfactor=hart
conversionfactor=hartree_to_ev_const
! write_bands=num_bands1
if(l_nocosoc) call juDFT_error('noco_or_soc and hsomtxvec')
......@@ -250,7 +251,7 @@
filenamewrite='WF1.lmpzsoc'
l_spinmat=.true.
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
! write_bands=num_bands1
if(l_nocosoc) call juDFT_error('noco_or_soc and hsomtxvec')
......@@ -265,7 +266,7 @@
l_spinmat=.true.
spinmat_dims=3
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
! write_bands=num_bands1
if(l_nocosoc) call juDFT_error('noco_or_soc and hsomtxvec')
......@@ -280,7 +281,7 @@
l_spinmat=.true.
spinmat_dims=3
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
! write_bands=num_bands1
if(l_nocosoc) call juDFT_error('noco_or_soc and hsomtxvec')
......@@ -296,7 +297,7 @@
num_compos=1
spinmat_dims=1
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
!
elseif(wann%l_hsomtx_to_hsoc_unf)then
......@@ -311,7 +312,7 @@
num_compos=1
spinmat_dims=1
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
!
elseif(wann%l_hsomtx_to_hsoc)then
l_readunf=.false.
......@@ -325,7 +326,7 @@
num_compos=1
spinmat_dims=1
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
!
elseif(wann%l_hsomtx_unf_to_hsoc)then
l_readunf=.true.
......@@ -339,7 +340,7 @@
l_spinmat=.true.
spinmat_dims=1
l_conjg=.true.
conversionfactor=hart
conversionfactor=hartree_to_ev_const
!
......
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