Don't calculate band properties if LORBIT < 11 #783
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Codecov ReportPatch and project coverage have no change.
Additional details and impacted files@@ Coverage Diff @@
## main #783 +/- ##
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Coverage 90.95% 90.95%
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Files 137 137
Lines 11725 11725
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Hits 10665 10665
Misses 1060 1060
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I realized the
_get_band_propertiesis always being called on the VASP output to populate the orbital-projected band properties (e.g. d-band center). However, this requires LORBIT >= 11, which is always true for MP calculations but not necessarily in general. I added a simple check so that emmet doesn't error out when LORBIT < 11.