diff --git a/src/LR/ppLR_davidson.f90 b/src/LR/ppLR_davidson.f90 index 1f53678..c2f5aef 100644 --- a/src/LR/ppLR_davidson.f90 +++ b/src/LR/ppLR_davidson.f90 @@ -616,6 +616,9 @@ subroutine ppLR_davidson_2(ispin, TDA, nC, nO, nR, nOrb, nOO, nVV, lambda, e, eF if(kernel_name .eq. "rpa") then + allocate(rho_tmp(0,0,0)) + allocate(Om_tmp(0)) + call ppLR_RPA_H_diag(ispin, nOrb, nC, nO, nR, nOO, nVV, lambda, e(1), eF, & ERI(1,1,1,1), H_diag(1))