Commit 58ec579f authored by Matthias Redies's avatar Matthias Redies

tiny fixes

parent 28046878
......@@ -135,10 +135,9 @@ CONTAINS
WRITE (6, '(A)') 'Reduction due to overlap (quality of orthonormality, should be < 1.0E-06)'
allocate(mpdata%num_radbasfn(0:maxval(hybinp%lcutm1), atoms%ntype))
allocate(mpdata%num_radbasfn(0:maxval(hybinp%lcutm1), atoms%ntype), source=0)
allocate(seleco(maxval(mpdata%num_radfun_per_l), 0:atoms%lmaxd))
allocate(selecu(maxval(mpdata%num_radfun_per_l), 0:atoms%lmaxd))
mpdata%num_radbasfn = 0 !!! 01/12/10 jij%M.b.
! determine maximal indices of (radial) mixed-basis functions (->num_radbasfn)
! (will be reduced later-on due to overlap)
......@@ -381,7 +381,7 @@ SUBROUTINE rdmft(eig_id,mpi,fi,enpara,stars,&
!CALL open_hybinp_io2(mpdata, fi%hybinp,hybdat,fi%input,fi%atoms,fi%sym%invs)
if(mpi%irank == 0) CALL coulombmatrix(mpi, fi, mpdata, hybdat, xcpot, [(i,i=1,fi%kpts%nkpt)])
CALL coulombmatrix(mpi, fi, mpdata, hybdat, xcpot, [(i,i=1,fi%kpts%nkpt)])
call hybmpi%copy_mpi(mpi)
do i =1,fi%kpts%nkpt
call hybdat%coul(i)%mpi_ibc(fi, hybmpi, 0)
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