WannInt-v1.0.1

New Features

• Matrix inversion utility.

WannInt-v1.0.0

Features

• Definition and modifications at runtime of crystalline systems by tight-binding parameters.
  • By direct user input.
  • By WANNIER90 formatted files.
• Calculation of the Hamiltonian $H(\textbf{k})$ and Berry connection $A^j(\textbf{k})$.
  • Arbitrary derivatives these quantities can be calculated and passed as MAC containers.
• OpenMP and SIMD instructions in the computation of Fourier sums.
• Wannier interpolation utilities:
  • Dirac delta approximation,
  • subspace degeneracy calculator,
  • diagonalization utility,
  • Schur decomposition utility,
  • singular value decomposition utility,
  • matrix exponential and logarithm utilities.

Dependencies

• MAC

Limitations

• FPM is the only supported build system.

Version 0.1.0.

• Fully functional API.
• Add citation and badges.

Initial release

Release to add zenodo DOI.