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phonopy
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Atsushi Togo 2013-11-29 19:33:40 +09:00
parent 975740ccba
commit 426ce477b8
1 changed files with 2 additions and 1 deletions
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scripts/phono3py
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@ -175,7 +175,8 @@ parser.add_option("--cutfreq", "--cutoff_frequency", dest="cutoff_frequency",
parser.add_option("--cutlt", "--cutoff_lifetime", dest="cutoff_lifetime",
type="float",
help="Cutoff lifetime in second used for thermal conductivity calculation")
parser.add_option("--cutpair", "--cutoff_pair_distance", dest="cutoff_pair_distance",
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")
parser.add_option("-d", "--disp", dest="is_displacement",