skelton-group/Phonopy-Spectroscopy
A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
PythonMIT
Issues
- 0
IR peaks are all zero
#24 opened by aabishekk - 0
IndexError: list index out of range
#23 opened by acammarat - 0
- 0
Error in "Irreps.yaml" file
#21 opened by SHNEHABISWAS - 0
- 1
- 0
- 0
Documentation
#17 opened by lucydot - 2
- 6
#phonopy-spectroscopy installation
#15 opened by suneetha98 - 2
I have a question about the command line
#13 opened by smismyname - 2
- 1
Installation instructions need updating
#11 opened by ThijsSmolders - 2
requesting more information
#8 opened by iowachem - 1
- 3
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- 12
Cannot generate mesh.yaml
#1 opened by liuyuhang599 - 9
Error: The number of bands references in the ir. rep. groups is more than # modes = 24.
#3 opened by PujaAdhikari - 2