From 10ddac453a6a1aaacde6b8e73f7741dd5efc2d6c Mon Sep 17 00:00:00 2001 From: Frederick Stein Date: Thu, 19 Jan 2023 15:07:11 +0100 Subject: [PATCH] Fix segfaults --- src/qs_scf_post_gpw.F | 1 + src/qs_scf_post_tb.F | 1 + 2 files changed, 2 insertions(+) diff --git a/src/qs_scf_post_gpw.F b/src/qs_scf_post_gpw.F index b8831ed6f9..f361a79654 100644 --- a/src/qs_scf_post_gpw.F +++ b/src/qs_scf_post_gpw.F @@ -778,6 +778,7 @@ CONTAINS IF (do_kpoints) THEN CPWARN("STM not implemented for k-point calculations!") ELSE + NULLIFY (unoccupied_orbs_stm, unoccupied_evals_stm) IF (nlumo_stm > 0) THEN ALLOCATE (unoccupied_orbs_stm(dft_control%nspins)) ALLOCATE (unoccupied_evals_stm(dft_control%nspins)) diff --git a/src/qs_scf_post_tb.F b/src/qs_scf_post_tb.F index 45302d8013..14cfe0f4af 100644 --- a/src/qs_scf_post_tb.F +++ b/src/qs_scf_post_tb.F @@ -581,6 +581,7 @@ CONTAINS homo_lumo(ispin, 1) = mo_eigenvalues(homo) END DO has_homo = .TRUE. + NULLIFY (unoccupied_orbs_stm, unoccupied_evals_stm) IF (nlumo_stm > 0) THEN ALLOCATE (unoccupied_orbs_stm(dft_control%nspins)) ALLOCATE (unoccupied_evals_stm(dft_control%nspins))