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RELEASE.md

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Latest release: v0.3.4

v0.3.4

  • Added Quantum Espresso tutorial
  • Improving collect_bandstr_data_only_in_energy_window() functionality
  • Upgraded return of band_ceneter_determination() function
  • Added effective mass error estimation from fitting error

v0.3.3

  • Bug fix unfolding kpline in A^-1
  • Updated install requirements. Bug found in irrep-1.9.0 and 1.9.1.

v0.3.2

  • Bug fix for PC band path Cartesian coordinate conversion
  • Improved band structures plotting
  • Implemented plotting band centers at each SCF cycles
  • Implemened save band structure data independently
  • Implemented effective mass modules
  • Added version track file
  • Added bibliography file (.bib) for referencing
  • Added tips and tricks in README
  • Documentation improved

v0.3.1

  • Package release in PyPi repository

v0.2.1

  • Package restructuring with significant code reimplementation
  • Documentation improved
  • Implemented folding degree module
  • Band centers determination algorithm implemented
  • Unfolded band structures plotting module improved

v0.2.0

  • Band unfolding implemented
  • Plot unfolded band structures implemented