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NEGF: bug correction of f4fc7e3.

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Dmitry Ryndyk 2025-11-09 14:16:08 +01:00 • committed by Ole Schütt
parent f4fc7e3a19
commit 33f5bf236d
1 changed files with 4 additions and 2 deletions
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6
src/negf_methods.F
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@ -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