Commit a3080b63 authored by Matthias Redies's avatar Matthias Redies

add all parameters fors read_z (should compile now)

parent 1d8b28b9
......@@ -160,7 +160,7 @@ CONTAINS
END IF ! hybinp%l_hybrid.OR.input%l_rdmft
IF(hybinp%l_hybrid) THEN
IF (hybdat%l_addhf) CALL add_Vnonlocal(nk,lapw,atoms,hybinp,hybdat,&
IF (hybdat%l_addhf) CALL add_Vnonlocal(nk,lapw,atoms,cell,sym,mpdata,hybinp,hybdat,&
input,kpts,jsp,results,xcpot,noco,hmat)
IF(hybdat%l_subvxc) THEN
......
......@@ -42,7 +42,8 @@ MODULE m_add_vnonlocal
! c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c
CONTAINS
SUBROUTINE add_vnonlocal(nk, lapw, atoms, hybinp, hybdat, input, kpts, jsp, results, xcpot, noco, hmat)
SUBROUTINE add_vnonlocal(nk, lapw, atoms, cell, sym, mpdata, hybinp, hybdat, input, kpts, jsp, results,&
xcpot, noco, hmat)
USE m_symm_hf, ONLY: symm_hf
USE m_intgrf, ONLY: intgrf, intgrf_init
......@@ -56,6 +57,10 @@ CONTAINS
IMPLICIT NONE
TYPE(t_atoms), INTENT(IN) :: atoms
type(t_cell), intent(in) :: cell
type(t_sym), intent(in) :: sym
type(t_mpdata), intent(in) :: mpdata
TYPE(t_results), INTENT(INOUT) :: results
CLASS(t_xcpot), INTENT(IN) :: xcpot
TYPE(t_input), INTENT(IN) :: input
......@@ -63,7 +68,6 @@ CONTAINS
TYPE(t_hybinp), INTENT(IN) :: hybinp
TYPE(t_kpts), INTENT(IN) :: kpts
TYPE(t_lapw), INTENT(IN) :: lapw
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_mat), INTENT(INOUT) :: hmat
......
......@@ -330,7 +330,7 @@ CONTAINS
IF (zero_order) THEN
CALL dwavefproducts(dcprod, ik, 1, hybdat%nbands(ik), 1, hybdat%nbands(ik), .false., input,atoms, mpdata,hybinp, &
cell, hybdat, kpts, kpts%nkpt, lapw, jsp, eig_irr)
cell, hybdat, kpts, sym,noco, lapw, jsp, eig_irr)
! make dcprod hermitian
DO n1 = 1, hybdat%nbands(ik)
......@@ -341,8 +341,8 @@ CONTAINS
END DO
IF (ibs_corr) THEN
CALL ibs_correction(ik, atoms, input, jsp, hybdat, mpdata, hybinp, lapw, kpts, kpts%nkpt, cell, mnobd, &
sym, proj_ibsc, olap_ibsc)
CALL ibs_correction(ik, atoms, input, jsp, hybdat, mpdata, hybinp, lapw, kpts, cell, mnobd, &
sym, noco, proj_ibsc, olap_ibsc)
END IF
END IF
......
......@@ -4,7 +4,7 @@ MODULE m_kp_perturbation
CONTAINS
SUBROUTINE ibs_correction(nk, atoms, input, jsp, hybdat, mpdata, hybinp, &
lapw, kpts, nkpti, cell, mnobd, sym, noco, &
lapw, kpts, cell, mnobd, sym, noco, &
proj_ibsc, olap_ibsc)
USE m_sphbes
......@@ -31,7 +31,7 @@ CONTAINS
! - scalars -
INTEGER, INTENT(IN) :: jsp
INTEGER, INTENT(IN) :: mnobd
INTEGER, INTENT(IN) :: nk, nkpti
INTEGER, INTENT(IN) :: nk
! - arrays -
......@@ -704,7 +704,7 @@ CONTAINS
dcprod, nk, bandi1, bandf1, bandi2, bandf2, lwrite, &
input, atoms, mpdata, hybinp, &
cell, &
hybdat, kpts, nkpti, lapw, &
hybdat, kpts, sym, noco, lapw, &
jsp, &
eig_irr)
......@@ -719,12 +719,13 @@ CONTAINS
TYPE(t_hybinp), INTENT(IN) :: hybinp
TYPE(t_cell), INTENT(IN) :: cell
TYPE(t_kpts), INTENT(IN) :: kpts
type(t_sym), intent(in) :: sym
type(t_noco), intent(in) :: noco
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_lapw), INTENT(IN) :: lapw
! - scalars -
INTEGER, INTENT(IN) :: nk, bandi1, bandf1, bandi2, bandf2
INTEGER, INTENT(IN) :: nkpti
INTEGER, INTENT(IN) :: jsp
! - arrays -
......@@ -741,11 +742,8 @@ CONTAINS
! Get momentum-matrix elements -i < uj | \/ | ui >
!
dcprod = cmplx_0
CALL momentum_matrix( &
dcprod, nk, bandi1, bandf1, bandi2, bandf2, &
input, atoms, mpdata, hybinp, &
cell, &
hybdat, kpts, lapw, &
CALL momentum_matrix(dcprod, nk, bandi1, bandf1, bandi2, bandf2, &
input, atoms, mpdata, hybinp, cell, hybdat, kpts, sym, noco, lapw, &
jsp)
! __
......@@ -778,7 +776,7 @@ CONTAINS
!
SUBROUTINE momentum_matrix(momentum, nk, bandi1, bandf1, bandi2, bandf2, &
input, atoms, mpdata, hybinp, &
cell, hybdat, kpts, lapw, jsp)
cell, hybdat, kpts, sym, noco, lapw, jsp)
USE m_olap
USE m_wrapper
USE m_util, only: derivative
......@@ -794,6 +792,8 @@ CONTAINS
TYPE(t_hybinp), INTENT(IN) :: hybinp
TYPE(t_cell), INTENT(IN) :: cell
TYPE(t_kpts), INTENT(IN) :: kpts
type(t_sym), intent(in) :: sym
type(t_noco), intent(in) :: noco
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_lapw), INTENT(IN) :: lapw
......
......@@ -181,7 +181,8 @@ contains
subroutine read_z(atoms, cell, mpdata, hybdat, hybinp, kpts, sym, noco, input, ik, jsp, z_out)
USE m_eig66_io
use m_types_kpts
use m_types
use m_trafo
implicit none
type(t_atoms), intent(in) :: atoms
type(t_cell), intent(in) :: cell
......@@ -220,7 +221,7 @@ contains
CALL waveftrafo_genwavf(cmt, tmp_mat, ikp, iop, atoms,&
mpdata, hybinp, kpts, sym, jsp, input, &
hybdat%nbands(ikp), lapw(ikp), lapw(ik),cmthlp, z_out)
hybdat%nbands(ikp), lapw_ikp, lapw_ik,cmthlp, z_out)
!CALL read_matrix(mat, rec, id_z)
endif
END subroutine read_z
......
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