Commit fefac81f authored by Matthias Redies's avatar Matthias Redies

fix move to mpbasis

parent c9bbcebb
......@@ -8,7 +8,7 @@ MODULE m_hf_setup
CONTAINS
SUBROUTINE hf_setup(hybrid, input, sym, kpts, DIMENSION, atoms, mpi, noco, cell, oneD, results, jsp, enpara, eig_id_hf, &
SUBROUTINE hf_setup(mpbasis, hybrid, input, sym, kpts, DIMENSION, atoms, mpi, noco, cell, oneD, results, jsp, enpara, eig_id_hf, &
hybdat, l_real, vr0, eig_irr)
USE m_types
USE m_eig66_io
......@@ -20,6 +20,7 @@ CONTAINS
IMPLICIT NONE
TYPE(t_mpbasis), INTENT(in) :: mpbasis
TYPE(t_hybrid), INTENT(INOUT) :: hybrid
TYPE(t_kpts), INTENT(IN) :: kpts
TYPE(t_dimension), INTENT(IN) :: dimension
......
......@@ -118,7 +118,8 @@ CONTAINS
CALL timestart("Calculation of non-local HF potential")
DO jsp = 1, input%jspins
call timestart("HF_setup")
CALL HF_setup(hybrid, input, sym, kpts, dimension, atoms, mpi, noco, cell, oneD, results, jsp, enpara, eig_id, &
CALL HF_setup(mpbasis,hybrid, input, sym, kpts, dimension, atoms, &
mpi, noco, cell, oneD, results, jsp, enpara, eig_id, &
hybdat, sym%invs, v%mt(:, 0, :, :), eig_irr)
call timestop("HF_setup")
......
......@@ -57,7 +57,7 @@ CONTAINS
cell, nbasm_mt, sym, noco, nkqpt, cprod)
call wavefproducts_inv5_MT(bandi, bandf, bandoi, bandof, dimension,&
atoms, kpts, nk, iq, hybdat, hybrid,&
atoms, kpts, nk, iq, hybdat, mpbasis, hybrid,&
sym, nkqpt, cprod)
CALL timestop("wavefproducts_inv5")
......@@ -227,7 +227,7 @@ CONTAINS
end subroutine wavefproducts_inv_IS
subroutine wavefproducts_inv5_MT(bandi, bandf, bandoi, bandof, dimension,&
atoms, kpts, nk, iq, hybdat, hybrid,&
atoms, kpts, nk, iq, hybdat, mpbasis, hybrid,&
sym, nkqpt, cprod)
use m_types
use m_judft
......@@ -235,6 +235,7 @@ CONTAINS
use m_constants
implicit NONE
TYPE(t_dimension), INTENT(IN) :: dimension
TYPE(t_mpbasis), INTENT(IN) :: mpbasis
TYPE(t_hybrid), INTENT(IN) :: hybrid
TYPE(t_sym), INTENT(IN) :: sym
TYPE(t_kpts), INTENT(IN) :: kpts
......
......@@ -51,7 +51,7 @@ CONTAINS
nkqpt, cprod)
call wavefproducts_noinv_MT(bandi, bandf, bandoi, bandof, nk, iq, &
dimension, atoms, hybrid, hybdat, kpts, &
dimension, atoms, mpbasis, hybrid, hybdat, kpts, &
nkqpt, cprod)
call timestop("wavefproducts_noinv5")
......@@ -201,7 +201,7 @@ CONTAINS
subroutine wavefproducts_noinv_MT(bandi, bandf, bandoi, bandof, nk, iq, &
dimension, atoms, hybrid, hybdat, kpts, &
dimension, atoms, mpbasis, hybrid, hybdat, kpts, &
nkqpt, cprod)
use m_types
USE m_constants
......@@ -212,6 +212,7 @@ CONTAINS
TYPE(t_dimension), INTENT(IN) :: dimension
TYPE(t_kpts), INTENT(IN) :: kpts
TYPE(t_atoms), INTENT(IN) :: atoms
TYPE(t_mpbasis), INTENT(IN) :: mpbasis
TYPE(t_hybrid), INTENT(IN) :: hybrid
TYPE(t_hybdat), INTENT(INOUT) :: hybdat
......
......@@ -460,7 +460,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
results%neig(:,:) = neigTemp(:,:)
CALL HF_setup(hybrid,input,sym,kpts,dimension,atoms,mpi,noco,cell,oneD,results,jspin,enpara,eig_id,&
CALL HF_setup(mpbasis,hybrid,input,sym,kpts,dimension,atoms,mpi,noco,cell,oneD,results,jspin,enpara,eig_id,&
hybdat,sym%invs,vTot%mt(:,0,:,:),eig_irr)
results%neig(:,:) = highestState(:,:) + 1
......
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