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Minor changes of output

This commit is contained in:
Atsushi Togo 2014-06-10 18:27:51 +09:00
parent 3b0525bdb1
commit d8d7808169
3 changed files with 3 additions and 3 deletions
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2
anharmonic/phonon3/conductivity.py
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@ -337,7 +337,7 @@ class Conductivity:
(gp, i + 1, len(self._grid_points)))
print "q-point: (%5.2f %5.2f %5.2f)" % tuple(self._qpoints[i])
if self._cutoff_mfp is not None:
print ("Maximum mean free path (micrometre): %f" %
print ("Boundary mean free path (micrometre): %f" %
self._cutoff_mfp)
if self._is_isotope:
print "Mass variance parameters:",

2
anharmonic/settings.py
View File

@ -439,7 +439,7 @@ class Phono3pyConfParser(ConfParser):
if params.has_key('cutoff_frequency'):
self._settings.set_cutoff_frequency(params['cutoff_frequency'])
# Cutoff mean free path for thermal conductivity calculation
# Boundary mean free path for thermal conductivity calculation
if params.has_key('cutoff_mfp'):
self._settings.set_cutoff_mfp(params['cutoff_mfp'])

2
scripts/phono3py
View File

@ -193,7 +193,7 @@ parser.add_option("--cutfreq", "--cutoff_frequency", dest="cutoff_frequency",
help="Phonon modes below this frequency are ignored.")
parser.add_option("--cutmfp", "--cutoff_mfp", dest="cutoff_mfp",
type="float",
help="Cutoff mean free path in micrometre for thermal conductivity calculation")
help="Boundary mean free path in micrometre for thermal conductivity calculation")
parser.add_option("--cutpair", "--cutoff_pair_distance",
dest="cutoff_pair_distance", type="float",
help="Cutoff distance between pairs of displaced atoms used for supercell creation with displacements and making third-order force constants")