diff --git a/src/Davidson/diagonalization_hs2.irp.f b/src/Davidson/diagonalization_hs2.irp.f index c3785d7f..c70a086c 100644 --- a/src/Davidson/diagonalization_hs2.irp.f +++ b/src/Davidson/diagonalization_hs2.irp.f @@ -187,6 +187,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sze,N_s do k=N_st+1,N_st_diag do i=1,sze call random_number(r1) + call random_number(r2) r1 = dsqrt(-2.d0*dlog(r1)) r2 = dtwo_pi*r2 u_in(i,k) = r1*dcos(r2) diff --git a/src/Utils/LinearAlgebra.irp.f b/src/Utils/LinearAlgebra.irp.f index 7be59bcc..44a15ddf 100644 --- a/src/Utils/LinearAlgebra.irp.f +++ b/src/Utils/LinearAlgebra.irp.f @@ -469,7 +469,12 @@ subroutine lapack_diag(eigvalues,eigvectors,H,nmax,n) print *, irp_here, ': DSYEV: the ',-info,'-th argument had an illegal value' stop 2 else if( info > 0 ) then - write(*,*)'DSYEV Failed' + write(*,*)'DSYEV Failed : ', info + do i=1,n + do j=1,n + print *, H(i,j) + enddo + enddo stop 1 end if