Fix segfaults

cp2k · Jan 19, 2023 · 10ddac4 · 10ddac4
1 parent cb4512d
commit 10ddac4
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diff --git a/src/qs_scf_post_gpw.F b/src/qs_scf_post_gpw.F
@@ -778,6 +778,7 @@ SUBROUTINE scf_post_calculation_gpw(qs_env, wf_type, do_mp2)
          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
@@ -581,6 +581,7 @@ SUBROUTINE scf_post_calculation_tb(qs_env, tb_type, no_mos)
                      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))