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Issues list

Gamma points and DOS calculations good first issue Good for newcomers
#244 opened Oct 10, 2022 by ajjackson
2
Add adaptive broadening to powder map nice to have Not urgently required, but would be an improvement
#139 opened Apr 13, 2021 by rebeccafair
1
Investigate powder sub-shell sampling
#145 opened Apr 22, 2021 by rebeccafair
Better handling/plotting of multiple Spectrum2D nice to have Not urgently required, but would be an improvement
#158 opened May 18, 2021 by rebeccafair
1
Add calculation of PDOS maps nice to have Not urgently required, but would be an improvement
#164 opened May 24, 2021 by rebeccafair
1
Use units with atol in tests nice to have Not urgently required, but would be an improvement
#175 opened Jun 22, 2021 by rebeccafair
Inelastic X-ray scattering nice to have Not urgently required, but would be an improvement
#179 opened Jul 9, 2021 by rebeccafair
1
Handle uneven bin widths in spectra
#201 opened Jan 18, 2022 by rebeccafair
4
Improve efficiency of powder averaging
#214 opened Apr 12, 2022 by ajjackson
2
Add CL tool option to label high-symmetry points with tuples good first issue Good for newcomers
#217 opened May 31, 2022 by rebeccafair
1
Phonopy BORN files; handling of equivalent atoms bug Something isn't working good first issue Good for newcomers
#224 opened Jun 15, 2022 by ajjackson
Improve q-point labelling behaviour bug Something isn't working
#227 opened Jul 5, 2022 by rebeccafair
Image-based plot testing nice to have Not urgently required, but would be an improvement
#93 opened Sep 7, 2020 by ajjackson
Feature request: phonon linewidths
#240 opened Sep 20, 2022 by ajjackson
2 tasks
Adaptive broadening API tweaks: Euphonic v2 breaking API-breaking or results change: generally reserved for major version number changes
#249 opened Oct 27, 2022 by ajjackson v2.0
Adaptive broadening API tweaks: Euphonic v3 breaking API-breaking or results change: generally reserved for major version number changes
#250 opened Oct 27, 2022 by ajjackson v3.0
Ugly RuntimeWarning in bose_factor good first issue Good for newcomers
#253 opened Nov 2, 2022 by rebeccafair
Clean up Codacy outputs: accept single-character variables
#255 opened Nov 15, 2022 by ajjackson
1
Conversion from phonon modes to force constants enhancement New feature or request
#266 opened Feb 27, 2023 by ajjackson
Automatically determine Q range when using kinematic constraints with euphonic-powder-map nice to have Not urgently required, but would be an improvement
#269 opened Mar 16, 2023 by ajjackson
1
Critically slow loop in _dipole_correction_init
#277 opened Jun 16, 2023 by tyst3273
5
Drop legacy cubic error/width parametrisation: Euphonic v2 breaking API-breaking or results change: generally reserved for major version number changes
#282 opened Jul 21, 2023 by ajjackson v2.0
Consider making Crystal.cell_volume() a @property
#289 opened Sep 6, 2023 by ajjackson v2.0
Experimental verification of Debye-Waller factor calculation
#300 opened Jun 7, 2024 by mducle
NAC corrections applied twice if already present in phonopy.yaml
#377 opened Mar 6, 2025 by mikibonacci
1
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