Commit bfaea469 authored by Gregor Michalicek's avatar Gregor Michalicek

Fix wrong array size in abcrot call in io/writeBasis.F90

parent f9f135c7
......@@ -54,9 +54,11 @@ C
PRINT*,"calculate wigner-matrix"
IF (.NOT.odi%d1) THEN
ALLOCATE (d_wgn(-lmaxd:lmaxd,-lmaxd:lmaxd,lmaxd,nop))
d_wgn = CMPLX(0.0,0.0) ! Initialization is done to avoid complaints by Lord Valgrind
CALL d_wigner(nop,mrot,bmat,lmaxd,d_wgn)
ELSE
ALLOCATE (d_wgn(-lmaxd:lmaxd,-lmaxd:lmaxd,lmaxd,ods%nop))
d_wgn = CMPLX(0.0,0.0) ! Initialization is done to avoid complaints by Lord Valgrind
CALL d_wigner(ods%nop,ods%mrot,bmat,lmaxd,d_wgn)
ENDIF
ENDIF
......
......@@ -479,7 +479,7 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DI
! DO i=1,atoms%nat
! atoms%ngopr(i)=ngopr_temp(i)
! END DO
CALL abcrot(atoms%ntype,atoms%nat,dimension%neigd,atoms%lmaxd,dimension%lmd,atoms%llod,atoms%nlod,atoms%ntype,atoms%neq,&
CALL abcrot(atoms%ntype,atoms%nat,numbands,atoms%lmaxd,dimension%lmd,atoms%llod,atoms%nlod,atoms%ntype,atoms%neq,&
numbands,atoms%lmax,atoms%nlo,atoms%llo,sym%nop,atoms%ngopr,sym%mrot,atoms%invsat,sym%invsatnr,cell%bmat,&
oneD%odi,oneD%ods,&
eigVecCoeffs%acof(:,0:,:,jsp),eigVecCoeffs%bcof(:,0:,:,jsp),eigVecCoeffs%ccof(-atoms%llod:,:,:,:,jsp))
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment