From 33f5bf236d33f5702937f46d461d97cc480acf96 Mon Sep 17 00:00:00 2001 From: Dmitry Ryndyk Date: Sun, 9 Nov 2025 14:16:08 +0100 Subject: [PATCH] NEGF: bug correction of f4fc7e3. --- src/negf_methods.F | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/negf_methods.F b/src/negf_methods.F index cfde08ca6e..a8b071a7a2 100644 --- a/src/negf_methods.F +++ b/src/negf_methods.F @@ -249,8 +249,10 @@ CONTAINS WRITE (log_unit, "(' Number of atoms in a primary unit cell:',I4)") SIZE(negf_env%contacts(icontact)%atomlist_cell0) IF (verbose_output) WRITE (log_unit, "(' Atoms belonging to a primary unit cell (from the entire sysem):')") IF (verbose_output) WRITE (log_unit, "(16I5)") negf_env%contacts(icontact)%atomlist_cell0 - IF (verbose_output) WRITE (log_unit, "(' Atom mapping of a unit cell of the bulk electrode:')") - IF (verbose_output) WRITE (log_unit, "(16I5)") negf_env%contacts(icontact)%atom_map_cell0(:)%iatom + IF (verbose_output .AND. negf_control%contacts(icontact)%force_env_index > 0) & + WRITE (log_unit, "(' Atom mapping of a unit cell of the bulk electrode:')") + IF (verbose_output .AND. negf_control%contacts(icontact)%force_env_index > 0) & + WRITE (log_unit, "(16I5)") negf_env%contacts(icontact)%atom_map_cell0(:)%iatom IF (verbose_output) WRITE (log_unit, "(' Direction of an electrode: ',I16)") negf_env%contacts(icontact)%direction_axis n = SIZE(negf_env%contacts(icontact)%h_00(1)%local_data, 1) WRITE (sfmt, "('(',i0,'(E15.5))')") n