Commit f5c1d11f authored by Gregor Michalicek's avatar Gregor Michalicek

Fixed a minor bug in hybrid/exchange_val_hf.F90

parent a7b87600
......@@ -175,12 +175,10 @@ CONTAINS
IF ( mpi%irank == 0 ) WRITE(6,'(/A,F6.1," MB")') 'Size of coulomb matrix:',16d0/1048576*SIZE(coulomb)
!
! Generate Symmetry:
! Reduce list of g-Points so that only one of each symm-equivalent is calculated
!
# ifndef CPP_NOCOULSYM
#ifndef CPP_NOCOULSYM
IF ( mpi%irank == 0 ) WRITE(6,'(/A)',advance='no') 'Setup for symmetry...'
CALL cpu_TIME(time1)
! calculate rotations in reciprocal space
......@@ -267,15 +265,13 @@ CONTAINS
IF ( mpi%irank == 0 ) WRITE(6,'(2X,A,F8.2,A)') '( Timing:', time2-time1, ' )'
! no symmetry used
# else
#else
ALLOCATE ( hybrid%pgptm1(hybrid%maxgptm,kpts%nkpt) )
DO ikpt = 1,kpts%nkpt
hybrid%pgptm1(:,ikpt) = (/ (igpt0, igpt0 = 1,hybrid%maxgptm) /)
hybrid%ngptm1(ikpt) = hybrid%ngptm(ikpt)
END DO
# endif
#endif
! Distribute the work as equally as possible over the processes
ikptmin = 1
......
......@@ -489,7 +489,7 @@ SUBROUTINE exchange_valence_hf(nk,kpts,nkpt_EIBZ,sym,atoms,hybrid,cell,dimension
END IF ! xcpot%icorr .ne. icorr_hse
IF (.not.mat_ex%l_real) THEN
IF (mat_ex%l_real) THEN
IF(any(abs(aimag(exch_vv)).gt.1E-08)) CALL judft_warn('unusally large imaginary part of exch_vv',&
calledby='exchange_val_hf.F90')
END IF
......
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