Commit d9cc7474 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_uHu.F

parent 178945d8
......@@ -130,12 +130,12 @@ c ..array arguments..
complex, intent (in) :: clnu(memd,0:nlhd,ntypsd)
c ..allocatable arrays..
integer, allocatable :: kveclo(:) , nv(:)
integer, allocatable :: kveclo_b(:) , nv_b(:)
integer, allocatable :: kveclo_b2(:), nv_b2(:)
integer, allocatable :: k1(:,:) , k2(:,:) , k3(:,:)
integer, allocatable :: k1_b(:,:) , k2_b(:,:) , k3_b(:,:)
integer, allocatable :: k1_b2(:,:), k2_b2(:,:), k3_b2(:,:)
! integer, allocatable :: kveclo(:) , nv(:)
! integer, allocatable :: kveclo_b(:) , nv_b(:)
! integer, allocatable :: kveclo_b2(:), nv_b2(:)
! integer, allocatable :: k1(:,:) , k2(:,:) , k3(:,:)
! integer, allocatable :: k1_b(:,:) , k2_b(:,:) , k3_b(:,:)
! integer, allocatable :: k1_b2(:,:), k2_b2(:,:), k3_b2(:,:)
integer, allocatable :: irreduc(:),mapkoper(:)
integer, allocatable :: irreduc_q(:),mapqoper(:)
integer, allocatable :: shiftkpt(:,:),pair_to_do(:,:)
......@@ -547,15 +547,15 @@ cccccccccccccccc end of the potential part ccccccccccc
allocate(flo(ntypd,jmtd,2,nlod,2))
allocate ( ff(ntypd,jmtd,2,0:lmaxd,2) )
allocate ( gg(ntypd,jmtd,2,0:lmaxd,2) )
allocate ( kveclo(nlotot),nv(wannierspin) )
allocate ( kveclo_b(nlotot),nv_b(wannierspin) )
allocate ( kveclo_b2(nlotot),nv_b2(wannierspin) )
allocate ( k1(nvd,wannierspin),k2(nvd,wannierspin),
& k3(nvd,wannierspin) )
allocate ( k1_b(nvd,wannierspin),k2_b(nvd,wannierspin),
& k3_b(nvd,wannierspin) )
allocate ( k1_b2(nvd,wannierspin),k2_b2(nvd,wannierspin),
& k3_b2(nvd,wannierspin) )
! allocate ( kveclo(nlotot),nv(wannierspin) )
! allocate ( kveclo_b(nlotot),nv_b(wannierspin) )
! allocate ( kveclo_b2(nlotot),nv_b2(wannierspin) )
! allocate ( k1(nvd,wannierspin),k2(nvd,wannierspin),
! & k3(nvd,wannierspin) )
! allocate ( k1_b(nvd,wannierspin),k2_b(nvd,wannierspin),
! & k3_b(nvd,wannierspin) )
! allocate ( k1_b2(nvd,wannierspin),k2_b2(nvd,wannierspin),
! & k3_b2(nvd,wannierspin) )
if(l_nocosoc) then
doublespin_max=4
......@@ -779,6 +779,11 @@ cccccccccccc read in the eigenvalues and vectors cccccc
! call cdn_read0(eig_id,irank,isize,jspin5,wannierspin,l_noco,
! < ello,evac,epar,wk,n_bands,n_size)
CALL cdn_read0(eig_id,mpi%irank,mpi%isize,jspin5,
& input%jspins, !wannierspin instead of DIMENSION%jspd?&
& noco%l_noco, n_bands,n_size)
enddo
c.. now we want to define the maximum number of the bands by all kpts
......@@ -1582,8 +1587,8 @@ c************************************************c
deallocate ( kveclo,nv,k1,k2,k3 )
deallocate(flo)
deallocate ( ff,gg)
if (allocated(nv_b))deallocate(kveclo_b,nv_b,k1_b,k2_b,k3_b)
if (allocated(nv_b2))deallocate(kveclo_b2,nv_b2,k1_b2,k2_b2,k3_b2)
! if (allocated(nv_b))deallocate(kveclo_b,nv_b,k1_b,k2_b,k3_b)
! if (allocated(nv_b2))deallocate(kveclo_b2,nv_b2,k1_b2,k2_b2,k3_b2)
if (wann%l_bzsym)deallocate(irreduc,mapkoper,shiftkpt)
if (wann%l_bzsym.AND.l_gwf)deallocate(irreduc_q,mapqoper,shiftqpt)
if (allocated(pair_to_do)) deallocate(pair_to_do,maptopair)
......
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