diff --git a/src/Davidson/diagonalization_hs2.irp.f b/src/Davidson/diagonalization_hs2.irp.f index 7cba0f60..2402f973 100644 --- a/src/Davidson/diagonalization_hs2.irp.f +++ b/src/Davidson/diagonalization_hs2.irp.f @@ -154,7 +154,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sze,N_s integer, external :: align_double sze_8 = align_double(sze) - itermax = min(davidson_sze_max, sze/N_st_diag) + itermax = max(3,min(davidson_sze_max, sze/N_st_diag)) allocate( & W(sze_8,N_st_diag*itermax), & U(sze_8,N_st_diag*itermax), &