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nomad-lab
parser-phonopy
Commits
edec79da
Commit
edec79da
authored
Jan 26, 2021
by
Alvin Noe Ladines
Browse files
Fixed issue #484
parent
c09f6414
Changes
1
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phonopyparser/phonopy_parser.py
View file @
edec79da
...
...
@@ -230,6 +230,9 @@ class PhonopyParser(FairdiParser):
sec_system
.
x_phonopy_original_system_ref
=
sec_system_unit
sec_method
=
sec_run
.
m_create
(
Method
)
# TODO I put this so as to have a recognizable section method, but metainfo
# should be expanded to include phonon related method parameters
sec_method
.
electronic_structure_method
=
'DFT'
sec_method
.
x_phonopy_symprec
=
sym_tol
sec_method
.
x_phonopy_displacement
=
displacement
...
...
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