Commit fc844bf3 authored by Gregor Michalicek's avatar Gregor Michalicek

Fix wrong size of zmat in hybrid/hf_setup.F90

parent deccfe43
......@@ -46,6 +46,7 @@ SUBROUTINE hf_setup(hybrid,input,sym,kpts,DIMENSION,atoms,mpi,noco,cell,oneD,res
! local scalars
INTEGER :: ok,nk,nrec1,i,j,ll,l1,l2,ng,itype,n,l,n1,n2,nn
INTEGER :: nbasfcn
! local arrays
......@@ -85,14 +86,17 @@ SUBROUTINE hf_setup(hybrid,input,sym,kpts,DIMENSION,atoms,mpi,noco,cell,oneD,res
#endif
nrec1 = kpts%nkpt*(jsp-1) + nk
CALL zMat(nk)%init(l_real,dimension%nbasfcn,dimension%neigd2)
CALL lapw%init(input,noco,kpts,atoms,sym,nk,cell,sym%zrfs)
nbasfcn = MERGE(lapw%nv(1)+lapw%nv(2)+2*atoms%nlotot,lapw%nv(1)+atoms%nlotot,noco%l_noco)
CALL zMat(nk)%init(l_real,nbasfcn,dimension%neigd2)
CALL read_eig(eig_id_hf,nk,jsp,zmat=zMat(nk))
eig_irr(:,nk) = results%eig(:,nk,jsp)
hybrid%ne_eig(nk) = results%neig(nk,jsp)
END DO
!Allocate further space
DO nk = kpts%nkpt+1, kpts%nkptf
CALL zMat(nk)%init(l_real,dimension%nbasfcn,dimension%neigd2)
nbasfcn = zMat(kpts%bkp(nk))%matsize1
CALL zMat(nk)%init(l_real,nbasfcn,dimension%neigd2)
END DO
!determine degenerate states at each k-point
......
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