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nomad-lab
parser-phonopy
Commits
147a3165
Commit
147a3165
authored
Feb 23, 2017
by
Simoes Brambila, Danilo (brambila)
Browse files
utf8 gammautf8 gammautf8 gammautf8 gammautf8 gammautf8 gammautf8 gammautf8 gamma
parent
b8621961
Pipeline
#10430
passed with stage
in 8 minutes and 49 seconds
Changes
1
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1
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Side-by-side
parser/parser-phonopy/PhononModulesNomad.py
View file @
147a3165
# coding=utf-8
#### phonopy parser written by Hagen-Henrik Kowalski and based on the original work of Joerg Mayer on phonopy-FHI-aims
import
numpy
as
np
...
...
@@ -74,7 +75,7 @@ def generate_kPath_ase(cell, symprec):
k_points
.
append
([
points
[
k
]
for
k
in
p
])
for
index
in
range
(
len
(
p
)):
if
p
[
index
]
==
'G'
:
p
[
index
]
=
'
Gamma
'
p
[
index
]
=
'
Γ
'
parameters
=
[]
for
h
,
seg
in
enumerate
(
k_points
):
for
i
,
path
in
enumerate
(
seg
):
...
...
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