v2.3.9

Documentation:

• Minor docstring updates (@kavanase, #241)

Bugfixes:

• Castep lattice_abc format was broken in many cases; deal with a
  Pymatgen deprecation and avoid incorrect truncation of data when no
  units are provided. Where structure is ambiguous due to mixed
  lattice/cartesian conventions, raise an error. (@jryates, @ajjackson)

v2.3.8

Bugfixes:

• Fixed bug with sumo-phonon-bandplot and recent versions of pymatgen (@utf, #227)

v2.3.7

• Added symprec functionality to load_phonon in cli/phonon_bandplot.py by @badw in #207
• Set band-edge marker size in style file by @ajjackson in #193
• Fix failing tests and migrate to importlib by @oashour in #216
• Update README.rst by @alexsquires in #224
• Add support for band structure titles by @oashour in #215
• Add **kwargs to draw_themed_line by @kavanase in #212
• Kpoint degeneracy by @kbspooner in #213

New Contributors

• @badw made their first contribution in #207
• @oashour made their first contribution in #216
• @alexsquires made their first contribution in #224
• @kbspooner made their first contribution in #213

Full Changelog: v2.3.6...v2.3.7

v2.3.6

Bugfixes:

• Allow "BREAK" keyword in CASTEP band paths - and ignore it. (@azanre, #201)
• Fix superscript in sumo-optplot (@utf, #203)

v2.3.5

Fix projected band structures with two projections selected (@utf, #181).

v2.3.4

Support for new versions of castepxbin.

v2.3.3

Bugfix: sumo-bandplot --project --mode rgb now works with paths containing branches
with a single k-point.

v2.3.2

Bugfix: sumo-bandstats now reports the correct k-point indices for the VBM and CBM.

v2.3.1

You can now specify custom colours for RGB mode projected band structures. See the
documentation for more details. The colormath package has been added as a dependency.

v2.3.0

Major changes:

• DOS energies are no longer shifted by SIGMA in smeared calculations;
  this will cause the DOS line to extend slightly beyond the VBM, but
  will ensure peaks are in the right positions. (@yw-fang & @ajjackson)

New features:

• Fermi level may be chosen as energy zero in DOS or band structure (YWF, AJJ)
• Horizontal line may be requested at energy zero in DOS or band structure (YWF, AJJ)

Bugfixes

• VBM shift argument was not correctly passed in DOS plots (@pzarabadip)
• Scissor option with combined band and DOS plot did not scissor DOS (@utf)
• Spin option with combined band and DOS plot did not apply to the DOS (@utf)
• Fixed phonon band structures with non-analytic correction (@utf)