Skip to content

GitLab

fleur
fleur
Commit 63fd069d authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files
Options

Some more changes to integrate the Wannier code

parent ebf2c3bc
Expand all Hide whitespace changes
Inline Side-by-side
Showing with 313 additions and 294 deletions
wannier/CMakeLists.txt
View file @ 63fd069d
......@@ -62,7 +62,7 @@ wannier/wann_plot_from_lapw.f
wannier/wann_plot_symm.f
wannier/wann_plot_um_dat.F
wannier/wann_plot_vac.F
wannier/wann_plotw90.F
#wannier/wann_plotw90.F
wannier/wann_postproc.F
wannier/wann_postproc_setup4.f
wannier/wann_postproc_setup5.f
......
wannier/wann_mmk0_od_vac.F
View file @ 63fd069d
......@@ -23,7 +23,7 @@ c***************************************************************
> ig,nmzxy,nmz,delz,ig2,n2d_1,
> bbmat,evac,bkpt,MM,vM,vz,odi,
> nslibd,jspin,k1,k2,k3,jspd,nvd,area,
> nbasfcn,neigd,z,nv,sk2,phi2,omtil,qss,
> nbasfcn,neigd,zMat,nv,sk2,phi2,omtil,qss,
< mmn)
use m_constants, only : pimach
......@@ -35,6 +35,8 @@ c***************************************************************
implicit none
TYPE(t_zmat), INTENT(IN) :: zMat
TYPE(t_dimension),INTENT(IN) :: DIMENSION
TYPE(t_oneD),INTENT(IN) :: oneD
TYPE(t_vacuum),INTENT(IN) :: vacuum
......@@ -60,12 +62,6 @@ c ..array arguments..
integer, intent (in) :: k1(:,:),k2(:,:),k3(:,:)!k1(nvd,jspd),k2(nvd,jspd),k3(nvd,jspd)
complex, intent (inout) :: mmn(:,:)!mmn(nslibd,nslibd)
#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
complex, intent (in):: z(:,:) !z(nbasfcn,neigd)
#else
real, intent (in):: z(:,:) !z(nbasfcn,neigd)
#endif
c ..basis wavefunctions in the vacuum
real, allocatable :: udz(:,:)
real, allocatable :: uz(:,:)
......@@ -160,14 +156,25 @@ c ..intrinsic functions..
* cmplx(-duz(l,m)*bess(m) +
- uz(l,m)*sk2(irec2)*dbss(m),0.0)/
/ ((wronk1)*sqrt(omtil))
do n = 1,nslibd
acof(l,m,n) = acof(l,m,n) +
+ z(k+addnoco,n)*avac
c + conjg(z(k,n))*avac
bcof(l,m,n) = bcof(l,m,n) +
+ z(k+addnoco,n)*bvac
c + conjg(z(k,n))*bvac
enddo
IF(zMat%l_real) THEN
do n = 1,nslibd
acof(l,m,n) = acof(l,m,n) +
+ zMat%z_r(k+addnoco,n)*avac
c + conjg(zMat%z_r(k,n))*avac
bcof(l,m,n) = bcof(l,m,n) +
+ zMat%z_r(k+addnoco,n)*bvac
c + conjg(zMat%z_r(k,n))*bvac
enddo
ELSE
do n = 1,nslibd
acof(l,m,n) = acof(l,m,n) +
+ zMat%z_c(k+addnoco,n)*avac
c + conjg(zMat%z_c(k,n))*avac
bcof(l,m,n) = bcof(l,m,n) +
+ zMat%z_c(k+addnoco,n)*bvac
c + conjg(zMat%z_c(k,n))*bvac
enddo
END IF
enddo ! -mb:mb
endif
enddo ! k = 1,nv
......
wannier/wann_mmk0_vac.F
View file @ 63fd069d
......@@ -20,12 +20,15 @@ c***************************************************************
> ig,nmz,delz,ig2,area,bmat,
> bbmat,evac,bkpt,vz,
> nslibd,jspin,k1,k2,k3,jspd,nvd,
> nbasfcn,neigd,z,nv,omtil,
> nbasfcn,neigd,zMat,nv,omtil,
< mmn)
USE m_types
use m_constants, only : pimach
implicit none
TYPE(t_zmat), INTENT(IN) :: zMat
c .. scalar Arguments..
logical, intent (in) :: l_noco
integer, intent (in) :: nlotot
......@@ -49,12 +52,6 @@ c ..array arguments..
integer, intent (in) :: k3(:,:) !k3(nvd,jspd)
complex, intent (inout) :: mmn(:,:) !mmn(nslibd,nslibd)
#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
complex, intent (in):: z(:,:) !z(nbasfcn,neigd)
#else
real, intent (in):: z(:,:) !z(nbasfcn,neigd)
#endif
c ..basis wavefunctions in the vacuum
complex, allocatable :: ac(:,:),bc(:,:)
real, allocatable :: dt(:),dte(:)
......@@ -175,10 +172,17 @@ c-----> construct a and b coefficients
av = -c_1 * cmplx( dte(l),zks*te(l) )
bv = c_1 * cmplx( dt(l),zks* t(l) )
c-----> loop over basis functions
do n = 1,nslibd
ac(l,n) = ac(l,n) + z(k+addnoco,n)*av
bc(l,n) = bc(l,n) + z(k+addnoco,n)*bv
enddo
IF(zMat%l_real) THEN
do n = 1,nslibd
ac(l,n) = ac(l,n) + zMat%z_r(k+addnoco,n)*av
bc(l,n) = bc(l,n) + zMat%z_r(k+addnoco,n)*bv
enddo
ELSE
do n = 1,nslibd
ac(l,n) = ac(l,n) + zMat%z_c(k+addnoco,n)*av
bc(l,n) = bc(l,n) + zMat%z_c(k+addnoco,n)*bv
enddo
END IF
enddo
do l = 1,nv2
......
wannier/wann_plotw90.F
View file @ 63fd069d
......@@ -14,9 +14,11 @@ c FF, September 2006
c last update: 27.10.2006 by FF
c******************************************************************
CONTAINS
SUBROUTINE wann_plotw90(bandswitch,band_min,band_max,num_bands,
> num_wann,l_dulo,l_noco,l_ss,lmaxd,
> ntypd,
SUBROUTINE wann_plotw90(
> mpi,stars,vacuum,atoms,sphhar,input,sym,cell,lapw,noco,oneD,
> eig_id,
> bandswitch,band_min,band_max,num_bands,
> num_wann,l_dulo,l_noco,l_ss,lmaxd,ntypd,
> neigd,natd,nop,nvd,jspd,nbasfcn,llod,nlod,ntype,
> nwdd,omtil,nlo,llo,lapw_l,invtab,mrot,ngopr,neq,lmax,
> invsat,invsatnr,nkpt,taual,rmt,amat,bmat,bbmat,alph,
......@@ -29,26 +31,36 @@ c******************************************************************
use m_abcof
use m_wann_2dvacabcof
use m_dotir
use m_radfun
use m_radflo
use m_cdnread, only : cdn_read0, cdn_read
use m_od_types, only : od_inp, od_sym
use m_cdnread
use m_types
use m_loddop
use m_constants, only : pimach
use m_constants
use m_wann_real
use m_xsf_io
use m_cotra,only:cotra1
use m_wann_plot_vac
USE m_wann_plot_wannier
! USE m_wann_plot_wannier
IMPLICIT NONE
TYPE(t_mpi),INTENT(IN) :: mpi
TYPE(t_stars),INTENT(IN) :: stars
TYPE(t_vacuum),INTENT(IN) :: vacuum
TYPE(t_atoms),INTENT(IN) :: atoms
TYPE(t_sphhar),INTENT(IN) :: sphhar
TYPE(t_input),INTENT(IN) :: input
TYPE(t_sym),INTENT(IN) :: sym
TYPE(t_cell),INTENT(IN) :: cell
TYPE(t_lapw),INTENT(IN) :: lapw
TYPE(t_noco),INTENT(IN) :: noco
TYPE(t_oneD),INTENT(IN) :: oneD
integer,intent(in) :: bandswitch
integer,intent(in) :: band_min
integer,intent(in) :: band_max
integer, intent (in) :: num_wann
logical, intent (in) :: invs,invs2,film,slice,symor
integer, intent (in) :: lmaxd,ntypd,neigd,nkptd,kk,nnne
integer, intent (in) :: lmaxd,ntypd,neigd,nkptd,kk,nnne,eig_id
integer, intent (in) :: natd,nop,nvd,jspd,nbasfcn,nq2,nop2
integer, intent (in) :: llod,nlod,ntype,nwdd,n3d,n2d
integer, intent (in) :: nmzxyd,nmzd,jmtd,nlhd,nq3,nvac
......@@ -91,11 +103,7 @@ cccccccccccccccccc local variables cccccccccccccccccccc
integer, allocatable :: kveclo(:),nv(:)
integer, allocatable :: k1(:,:),k2(:,:),k3(:,:)
real, allocatable :: we(:)
#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
complex, allocatable :: z(:,:),zz(:,:)
#else
real, allocatable :: z(:,:),zz(:,:)
#endif
#include "cpp_double.h"
#ifdef CPP_MPI
include 'mpif.h'
......@@ -121,10 +129,7 @@ cccccccccccccccccc local variables cccccccccccccccccccc
!!! radial wavefunctions in the muffin-tins and more ...
real, allocatable :: flo(:,:,:,:)
real, allocatable :: ff(:,:,:,:),gg(:,:,:,:)
real, allocatable :: us(:,:),uds(:,:),ulos(:,:)
real, allocatable :: dus(:,:),duds(:,:),dulos(:,:)
real, allocatable :: ddn(:,:),uulon(:,:),dulon(:,:)
real, allocatable :: uloulopn(:,:,:)
real uuilon(nlod,ntypd),duilon(nlod,ntypd)
real ulouilopn(nlod,nlod,ntypd)
!!! energy parameters
......@@ -158,6 +163,7 @@ cccccccccccccccccc local variables cccccccccccccccccccc
logical,allocatable:: inc_band(:)
integer num_inc,counter,kptibz
logical l_bandsort
INTEGER n_start, n_end
REAL :: s
......@@ -193,8 +199,9 @@ c ..basis wavefunctions in the vacuum
CHARACTER(len=20):: name1,name2,name3
CHARACTER(len=10):: vandername
NAMELIST /plot/twodim,cartesian,vec1,vec2,vec3,grid,zero,filename
c external dotirp !module now
c real dotirp
TYPE(t_zmat) :: zMat, zzMat
TYPE(t_usdus) :: usdus
l_byindex=.false.
l_byenergy=.false.
......@@ -289,11 +296,9 @@ cccccccccccccccc initialize the potential cccccccccccc
open (8,file='pottot',form='unformatted',status='old')
rewind (8)
call loddop(
> jspd,n3d,odi%n2d,nmzxyd,nmzd,jmtd,nlhd,ntypd,
> jspins,nq3,odi%nq2,nvac,ntype,invs,invs2,film,
> nlh,jri,ntypsd,ntypsy,8,natd,neq,
< iop,dop,iter,vrf,vpw,vz,vzxy,name)
call loddop(stars,vacuum,atoms,sphhar,input,sym,
> 8,
< iter,vrf,vpw,vz,vzxy)
close (8)
......@@ -313,16 +318,16 @@ cccccccccccccccc end of the potential part ccccccccccc
allocate ( k1(nvd,jspd),k2(nvd,jspd),k3(nvd,jspd) )
allocate ( ff(ntypd,jmtd,2,0:lmaxd) )
allocate ( gg(ntypd,jmtd,2,0:lmaxd) )
allocate ( us(0:lmaxd,ntypd) )
allocate ( uds(0:lmaxd,ntypd) )
allocate ( dus(0:lmaxd,ntypd) )
allocate ( duds(0:lmaxd,ntypd) )
allocate ( ddn(0:lmaxd,ntypd) )
allocate ( ulos(nlod,ntypd) )
allocate ( dulos(nlod,ntypd) )
allocate ( uulon(nlod,ntypd) )
allocate ( dulon(nlod,ntypd) )
allocate ( uloulopn(nlod,nlod,ntypd) )
allocate ( usdus%us(0:lmaxd,ntypd,jspd) )
allocate ( usdus%uds(0:lmaxd,ntypd,jspd) )
allocate ( usdus%dus(0:lmaxd,ntypd,jspd) )
allocate ( usdus%duds(0:lmaxd,ntypd,jspd) )
allocate ( usdus%ddn(0:lmaxd,ntypd,jspd) )
allocate ( usdus%ulos(nlod,ntypd,jspd) )
allocate ( usdus%dulos(nlod,ntypd,jspd) )
allocate ( usdus%uulon(nlod,ntypd,jspd) )
allocate ( usdus%dulon(nlod,ntypd,jspd) )
allocate ( usdus%uloulopn(nlod,nlod,ntypd,jspd) )
c cycle by spins starts! NO NON-COLLINEAR WHATSOEVER!
......@@ -396,8 +401,8 @@ c**************************************************************
if(l_byenergy)then !determine number of bands
l_file=.false.
inquire(file=spin12(jspin)//'.eig',exist=l_file)
IF(.NOT.l_file) CALL juDFT_error("WF1(2).eig not found",calledby
+ ="wann_plotw90")
IF(.NOT.l_file) CALL juDFT_error("WF1(2).eig not found",
+ calledby ="wann_plotw90")
open(396,file=spin12(jspin)//'.eig',form='formatted',
& status='old')
k=0
......@@ -427,12 +432,8 @@ cccccccccccc read in the eigenvalues and vectors cccccc
l_p0 = .false.
if (irank.eq.0) l_p0 = .true.
call cdn_read0(
> lmaxd,ntypd,nlod,neigd,jspd,
> irank,isize,jspin,jsp_start,jsp_end,
> l_noco,nrec,66,
< ello,evac,epar,bkpt,wk,n_bands,nrec1,n_size)
call cdn_read0(eig_id,irank,isize,jspin,jspd,l_noco,
< ello,evac,epar,bkpt,wk,n_bands,n_size)
allocate ( flo(ntypd,jmtd,2,nlod) )
......@@ -440,22 +441,21 @@ cccccccccccc read in the eigenvalues and vectors cccccc
do 40 n = 1,ntype
do 30 l = 0,lmax(n)
c...compute the l-dependent, k-independent radial MT- basis functions
call radfun(
> l,epar(l,n,jspin),vr(1,n,jspin),jri(n),rmsh(1,n),
> dx(n),jmtd,
< ff(n,:,:,l),gg(n,:,:,l),us(l,n),
< dus(l,n),uds(l,n),duds(l,n),
< ddn(l,n),nodeu,noded,wronk)
> l,n,jspin,epar(l,n,jspin),vr(1,n,jspin),atoms,
< ff(n,:,:,l),gg(n,:,:,l),usdus,
< nodeu,noded,wronk)
30 continue
c...and the local orbital radial functions
c do ilo = 1, nlo(n)
call radflo(
> ntypd,nlod,jspd,jmtd,lmaxd,n,jspin,
> ello(1,1,jspin),vr(1,n,jspin),
> jri(n),rmsh(1,n),dx(n),ff(n,1:,1:,0:),
> gg(n,1:,1:,0:),llo,nlo,l_dulo(1,n),irank,ulo_der,
< ulos(1,1),dulos(1,1),uulon(1,1),dulon(1,1),
< uloulopn(1,1,1),uuilon,duilon,ulouilopn,flo(n,:,:,:))
> atoms,n,jspin,ello(:,:,jspin),vr(1,n,jspin),
> ff(n,1:,1:,0:),gg(n,1:,1:,0:),mpi,
< usdus,uuilon,duilon,ulouilopn,flo(n,:,:,:))
c enddo
c na = na + neq(n)
40 continue
......@@ -475,25 +475,33 @@ c na = na + neq(n)
if (mod(i_rec-1,isize).eq.irank) then
allocate ( z(nbasfcn,neigd),we(neigd),
& zz(nbasfcn,neigd),eigg(neigd) )
allocate ( we(neigd),eigg(neigd) )
n_start=1
n_end=neigd
call cdn_read(
> lmaxd,ntypd,nlod,neigd,nvd,jspd,
> irank,isize,kptibz,jspin,nbasfcn,nlotot,
> l_ss,l_noco,nrec,kptibz,66,neigd,
CALL cdn_read(
> eig_id,
> nvd,jspd,irank,isize,kptibz,jspin,nbasfcn,
> l_ss,l_noco,neigd,n_start,n_end,
< nmat,nv,ello,evdu,epar,kveclo,
< k1,k2,k3,bkpt,wk,nbands,eigg,zz,cp_time)
< k1,k2,k3,bkpt,wk,nbands,eigg,zzMat)
nslibd = 0
c...we work only within the energy window
#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
z(:,:) = cmplx(0.,0.)
#else
z(:,:) = 0.
#endif
zMat%l_real = zzMat%l_real
zMat%nbasfcn = zzMat%nbasfcn
zMat%nbands = zzMat%nbands
IF(zzMat%l_real) THEN
ALLOCATE (zMat%z_r(zMat%nbasfcn,zMat%nbands))
zMat%z_r = 0.0
ELSE
ALLOCATE (zMat%z_c(zMat%nbasfcn,zMat%nbands))
zMat%z_c = CMPLX(0.0,0.0)
END IF
eig(:) = 0.
print*,"bands used"
......@@ -505,9 +513,16 @@ c...we work only within the energy window
nslibd = nslibd + 1
eig(nslibd) = eigg(i)
we(nslibd) = we(i)
do j = 1,nv(jspin) + nlotot
z(j,nslibd) = zz(j,i)
enddo
IF (zzMat%l_real) THEN
do j = 1, nv(jspin) + nlotot
zMat%z_r(j,nslibd) = zzMat%z_r(j,i)
enddo
ELSE
do j = 1, nv(jspin) + nlotot
zMat%z_c(j,nslibd) = zzMat%z_c(j,i)
enddo
END IF
endif
enddo
c***********************************************************
......@@ -549,18 +564,9 @@ c******************************************************************
c...generation of the A,B,C coefficients in the spheres
c...for the lapws and local orbitals, summed by the basis functions
call abcof(
> lmaxd,ntypd,neigd,noccbd,natd,nop,nvd,jspd,
> lmd,nbasfcn,llod,nlod,nlotot,invtab,
> ntype,mrot,ngopr,taual,neq,lmax,rmt,omtil,
> bmat,bbmat,bkpt,k1,k2,k3,nv,nmat,noccbd,z,
> us(0,1),dus(0,1),uds(0,1),
> duds(0,1),ddn(0,1),invsat,invsatnr,
> ulos(1,1),uulon(1,1),dulon(1,1),
> dulos(1,1),llo,nlo,l_dulo,lapw_l,
> l_noco,l_ss,jspin,alph,beta,qss,kveclo,odi,ods,
< acof(1,0,1),bcof(1,0,1),
< ccof(-llod,1,1,1))
CALL abcof(input,atoms,noccbd,sym,cell,bkpt,lapw,
+ noccbd,usdus,noco,jspin,kveclo,oneD,
+ acof,bcof,ccof,zMat)
call abcrot(
> ntypd,natd,noccbd,lmaxd,lmd,llod,nlod,ntype,neq,
......@@ -580,7 +586,7 @@ c***********************************************************************
> nv(jspin),bkpt,z1,
> nvd,k1(:,jspin),k2(:,jspin),k3(:,jspin),evac(:,jspin),
> bbmat,delz,bmat,nbasfcn,
> neigd,z,
> neigd,zMat,
< ac,bc,u,ue)
endif !preparations for vacuum
c**************************************************************************
......@@ -626,14 +632,14 @@ c**************************************************************************
s = SQRT(dot_PRODUCT(pos(:,na)-pt,pos(:,na)-pt))
IF (s<rmsh(jri(nt),nt)) THEN
CALL wann_real(
> pt,nt,na,0,1,bkpt,
> pt,nt,na,0,1,bkpt,nbn,
> n3d,nmzxyd,n2d,ntypsd,lmaxd,jmtd,
> natd,ntypd,nmzd,nop,nop2,mrot,tau,invtab,
> nq3,nvac,invs,z1,delz,nmz,nmzxy,nq2,
> lmax,rmsh,jri,pos,ngopr,ntypsy,nvd,
> omtil,amat,bmat,odi,ods,nlod,llod,nlo,llo,
> ff,gg,flo,acof(nbn,:,:),bcof(nbn,:,:),
> ccof(:,nbn,:,:),z(:,nbn),
> ccof(:,nbn,:,:),zMat,
> nv(jspin),k1(:,jspin),k2(:,jspin),k3(:,jspin),
> lmd,nbasfcn,l_ss,qss,jspin,0,
< xdnout)
......@@ -656,7 +662,7 @@ c**************************************************************************
call wann_plot_vac(point,z1,nmzd,nv2d,n3d,nvac,
> nmz,delz,bmat,bbmat,evac(:,jspin),bkpt,vz,jspin,
> k1(:,jspin),k2(:,jspin),k3(:,jspin),nvd,
> nbasfcn,neigd,z(:,nbn),nv(jspin),omtil,nslibd,
> nbasfcn,neigd,nv(jspin),omtil,nslibd,
> ac(:,nbn,ivac),
& bc(:,nbn,ivac),
& u(:,:,jvac),ue(:,:,jvac),xdnout)
......@@ -684,14 +690,14 @@ c < xdnout)
IF (odi%d1) THEN
IF (SQRT((pt(1))**2 + (pt(2))**2)>=z1) THEN
CALL wann_real(
> pt,0,0,1,0,bkpt,
> pt,0,0,1,0,bkpt,nbn,
> n3d,nmzxyd,n2d,ntypsd,lmaxd,jmtd,
> natd,ntypd,nmzd,nop,nop2,mrot,tau,invtab,
> nq3,nvac,invs,z1,delz,nmz,nmzxy,nq2,
> lmax,rmsh,jri,pos,ngopr,ntypsy,nvd,
> omtil,amat,bmat,odi,ods,nlod,llod,nlo,llo,
> ff,gg,flo,acof(nbn,:,:),bcof(nbn,:,:),
> ccof(:,nbn,:,:),z(:,nbn),
> ccof(:,nbn,:,:),zMat,
> nv(jspin),k1(:,jspin),k2(:,jspin),k3(:,jspin),
> lmd,nbasfcn,l_ss,qss,jspin,0,
< xdnout)
......@@ -701,14 +707,14 @@ c < xdnout)
END IF
END IF
CALL wann_real(
> point,0,0,0,2,bkpt,
> point,0,0,0,2,bkpt,nbn,
> n3d,nmzxyd,n2d,ntypsd,lmaxd,jmtd,
> natd,ntypd,nmzd,nop,nop2,mrot,tau,invtab,
> nq3,nvac,invs,z1,delz,nmz,nmzxy,nq2,
> lmax,rmsh,jri,pos,ngopr,ntypsy,nvd,
> omtil,amat,bmat,odi,ods,nlod,llod,nlo,llo,
> ff,gg,flo,acof(nbn,:,:),bcof(nbn,:,:),
> ccof(:,nbn,:,:),z(:,nbn),
> ccof(:,nbn,:,:),zMat,
> nv(jspin),k1(:,jspin),k2(:,jspin),k3(:,jspin),
> lmd,nbasfcn,l_ss,qss,jspin,0,
< xdnout)
......@@ -725,7 +731,7 @@ c..end of the loop by the bands
ENDDO band
deallocate ( acof,bcof,ccof,z,we,zz,eigg )
deallocate ( acof,bcof,ccof,we,eigg )
write (*,*) 'nslibd=',nslibd
......@@ -738,9 +744,13 @@ c..end of the loop by the bands
enddo !loop over k-points
deallocate(flo)
if(l_bzsym)deallocate(mapkoper,irreduc)
call wann_plot_wannier(wannierfunc(1,1,1),grid(1),
& jspin,fullnkpts,num_bands)
if(l_bzsym) deallocate(mapkoper,irreduc)
WRITE(*,*) 'Call to wann_plot_wannier commented out.'
WRITE(*,*) 'The routine was nowhere to befound'
! call wann_plot_wannier(wannierfunc(1,1,1),grid(1),
! & jspin,fullnkpts,num_bands)
deallocate(wannierfunc)
nrec=nrec+nkpts
......@@ -748,11 +758,8 @@ c..end of the loop by the bands
110 continue ! end of cycle by spins
deallocate ( vr,vz,kveclo,nv,k1,k2,k3 )
deallocate ( ff,gg,us,dus,duds,uds,ddn)
deallocate ( ulos,dulos,uulon,dulon,uloulopn )
deallocate ( ff,gg )
END SUBROUTINE wann_plotw90
END MODULE m_wann_plotw90
wannier/wannier.F
View file @ 63fd069d
This diff is collapsed.
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment