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Fix segfaults

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Frederick Stein 2023-01-19 15:07:11 +01:00 • committed by Frederick Stein
parent cb4512d2d4
commit 10ddac453a
2 changed files with 2 additions and 0 deletions
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1
src/qs_scf_post_gpw.F
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@ -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))

1
src/qs_scf_post_tb.F
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@ -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))