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nomad-lab
nomad-FAIR
Commits
69b48c63
Commit
69b48c63
authored
Jun 15, 2020
by
Lauri Himanen
Browse files
Enabled simplified BS also for phonons.
parent
6bb5d617
Pipeline
#76570
passed with stages
in 45 minutes and 2 seconds
Changes
1
Pipelines
1
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Inline
Side-by-side
nomad/app/api/encyclopedia.py
View file @
69b48c63
...
...
@@ -1178,7 +1178,7 @@ class EncCalculationResource(Resource):
# plots. If the VBM and CBM information is needed later, it
# can be added as indices along the path. The exact
# k-points and occupations are removed to save band width.
if
key
==
"electronic_band_structure"
:
if
key
==
"electronic_band_structure"
or
key
==
"phonon_band_structure"
:
segments
=
value
[
"section_k_band_segment"
]
k_path_length
=
0
for
segment
in
segments
:
...
...
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