Commit 4b64e465 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_uHu.F

parent f02e2bab
......@@ -1170,7 +1170,8 @@ c***********************************************************
t_eig = t_eig + t1 - t0
addnoco = 0
if(l_noco.and.jspin.eq.2) addnoco=nv_b(1)+nlotot
! if(l_noco.and.jspin.eq.2) addnoco=nv_b(1)+nlotot
if(l_noco.and.jspin.eq.2) addnoco=lapw_b%nv(1)+atoms%nlotot
! set up a(k+b1),b(k+b1),c(k+b1)
allocate( acof_b(noccbd_b,0:lmd,natd),
......@@ -1301,7 +1302,8 @@ c***********************************************************
t_eig = t_eig + t1 - t0
addnoco2 = 0
if(l_noco.and.jspin_b.eq.2) addnoco2=nv_b2(1)+nlotot
! if(l_noco.and.jspin_b.eq.2) addnoco2=nv_b2(1)+nlotot
if(l_noco.and.jspin_b.eq.2) addnoco2=lapw_b2%nv(1)+atoms%nlotot
! set up a(k+b2),b(k+b2),c(k+b2)
allocate( acof_b2(noccbd_b2,0:lmd,natd),
......@@ -1425,10 +1427,10 @@ c endif
> nv_b(jspin),nv_b2(jspin_b),nbnd,neigd,
> nslibd_b,nslibd_b2,nbasfcn,addnoco,addnoco2,
! > k1_b(:,jspin), k2_b(:,jspin), k3_b(:,jspin),
> lapw_b%k1(:,jspin),lapw_b%k2(:,jspin),lapw_b%k1(:,jspin),
> lapw_b%k1(:,jspin),lapw_b%k2(:,jspin),lapw_b%k3(:,jspin),
> gb(:,ikpt_b,ikpt),
! > k1_b2(:,jspin_b),k2_b2(:,jspin_b),k3_b2(:,jspin_b),
> lapw_b2%k1(:,jspin),lapw_b2%k2(:,jspin),lapw_b2%k1(:,jspin),
> lapw_b2%k1(:,jspin),lapw_b2%k2(:,jspin),lapw_b2%k3(:,jspin),
> gb(:,ikpt_b2,ikpt),
> bkpt,bbmat,vpw(:,jspin3),zMat_b,zMat_b2,rgphs,
> ustep,ig,jspin.eq.jspin_b,sign2,
......@@ -1454,8 +1456,12 @@ c endif
> rgphs,nmzxy,nmz,delz,ig2,nq2,kv2,area,bmat,bbmat,
> evac(:,jspin4),evac(:,jspin4_b),bkpt_b,bkpt_b2,
> vzxy(:,:,:,jspin3),vz,nslibd_b,nslibd_b2,
> jspin,jspin_b,doublespin,k1_b,k2_b,k3_b,
> k1_b2,k2_b2,k3_b2,wannierspin,nvd,nbasfcn,neigd,
> jspin,jspin_b,doublespin,
! > k1_b,k2_b,k3_b,
> lapw_b%k1(:,jspin),lapw_b%k2(:,jspin),lapw_b%k3(:,jspin),
! > k1_b2,k2_b2,k3_b2,
> lapw_b2%k1(:,jspin),lapw_b2%k2(:,jspin),lapw_b2%k3(:,jspin),
> wannierspin,nvd,nbasfcn,neigd,
> zMat_b,zMat_b2,nv_b,nv_b2,omtil,gb(:,ikpt_b,ikpt),
> gb(:,ikpt_b2,ikpt),sign2,
> uHu(:,:,ikpt_b2,ikpt_b,i_rec))
......@@ -1471,8 +1477,12 @@ c endif
> nmzxyd,nmzd,nv2d,k1d,k2d,k3d,n2d,n3d,ig,nmzxy,nmz,
> delz,ig2,bbmat,evac(1,jspin4),evac(1,jspin4_b),bkpt_b,
> bkpt_b2,odi,vzxy(:,:,:,jspin3),vz,nslibd_b,nslibd_b2,
> jspin,jspin_b,doublespin,k1_b,k2_b,k3_b,k1_b2,k2_b2,
> k3_b2,wannierspin,nvd,area,nbasfcn,neigd,zMat_b,zMat_b2,
> jspin,jspin_b,doublespin,
! > k1_b,k2_b,k3_b,
> lapw_b%k1(:,jspin),lapw_b%k2(:,jspin),lapw_b%k1(:,jspin),
! > k1_b2,k2_b2,k3_b2,
> lapw_b2%k1(:,jspin),lapw_b2%k2(:,jspin),lapw_b2%k1(:,jspin),
> wannierspin,nvd,area,nbasfcn,neigd,zMat_b,zMat_b2,
> nv_b,nv_b2,sk2,phi2,omtil,gb(:,ikpt_b,ikpt),
> gb(:,ikpt_b2,ikpt),qpt_i,sign2,
> uHu(:,:,ikpt_b2,ikpt_b,i_rec))
......@@ -1586,7 +1596,7 @@ c END Q LOOP c
c************************************************c
deallocate ( kveclo,nv,k1,k2,k3 )
! 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)
......
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