Commit fac25272 authored by Matthias Redies's avatar Matthias Redies

introduce fleurinput type to exchange_val_hf

parent bf38905e
This diff is collapsed.
......@@ -151,9 +151,8 @@ CONTAINS
! calculate contribution from valence electrons to the
! HF exchange
ex%l_real = fi%sym%invs
CALL exchange_valence_hf(nk, fi%kpts, nkpt_EIBZ, fi%sym, fi%atoms, mpdata, fi%hybinp, fi%cell, fi%input, jsp, hybdat, lapw, &
eig_irr, results, pointer_EIBZ, n_q, wl_iks, xcpot, fi%noco, nococonv, fi%oneD, nsest, indx_sest, &
mpi, ex)
CALL exchange_valence_hf(nk, fi, nkpt_EIBZ, mpdata, jsp, hybdat, lapw, eig_irr, results, &
pointer_EIBZ, n_q, wl_iks, xcpot, nococonv, nsest, indx_sest, mpi, ex)
CALL timestart("core exchange calculation")
......
......@@ -526,8 +526,8 @@ SUBROUTINE rdmft(eig_id,mpi,fi,enpara,stars,&
rrot,nsymop,psym,nkpt_EIBZ,n_q,parent,pointer_EIBZ,nsest,indx_sest)
exMat%l_real=fi%sym%invs
CALL exchange_valence_hf(ikpt,fi%kpts,nkpt_EIBZ, fi%sym,fi%atoms,mpdata,fi%hybinp,fi%cell,fi%input,jspin,hybdat,lapw,&
eig_irr,results,pointer_EIBZ,n_q,wl_iks,xcpot,fi%noco,nococonv,fi%oned,nsest,indx_sest,&
CALL exchange_valence_hf(ikpt,fi,nkpt_EIBZ,mpdata,jspin,hybdat,lapw,&
eig_irr,results,pointer_EIBZ,n_q,wl_iks,xcpot,nococonv,nsest,indx_sest,&
mpi,exMat)
CALL exchange_vccv1(ikpt,fi%input,fi%atoms,fi%cell, fi%kpts, fi%sym, fi%noco,nococonv, fi%oned,&
mpdata,fi%hybinp,hybdat,jspin,lapw,nsymop,nsest,indx_sest,mpi,&
......
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