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phonopy
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This commit is contained in:
Atsushi Togo 2016-04-21 15:38:07 +09:00
parent feb6ae3492
commit 11e7326c00
1 changed files with 1 additions and 0 deletions
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scripts/phonopy
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@ -828,6 +828,7 @@ elif run_mode == 'band' or run_mode == 'mesh' or run_mode == 'band_mesh':
"(fractional)" % tuple(p_direction))
print(" [%6.3f %6.3f %6.3f] "
"(Cartesian)" % tuple(c_direction))
if log_level > 0:
print("Calculating partial PDOS...")
dos_range = settings.get_dos_range()
phonon.set_partial_DOS(