Elphmod

Latest version: v0.24

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0.24

* Improved MD driver and i-PI example
* Calculation of band velocity without finite differences
* Documentation of indices of matrix elements
* Export of coupling in EPW format (*.epmatwp*)
* Transformation of coupling to arbitrary real-space meshes
* Cleanup of routines related to Wigner-Seitz cell
* Subpackage `elphmod.models` for nearest-neighbor model input data

0.23

* QE-7.3 support (cDFPT patch, no longer included in source distribution)
* pyproject.toml-based build with reviewed requirements
* Scripts replaced by entry points (for editable installs and portability)
* Phonons and faster forces from MD driver using sparse coupling matrices
* Official PNG version of logo
* Read the Docs theme
* First unit test
* Various bugfixes and optimizations

0.22

* Import of Wannier Hamiltonian from RESPACK
* Export of dynamical matrices from MD driver

0.21

* Support for more QE Bravais lattices
* Support for electron-electron interaction beyond 2D systems
* Consistent mapping of electron-electron interaction to supercells
* Export of electron-electron interaction in RESPACK format (*dat.Wmat*)
* Option to suppress status bars

0.20

* Bugfix and example related to Eliashberg theory
* Model input data (electrons, phonons, and coupling) for TaS₂
* Faster mapping to supercells
* Tight-binding models from perturbed states on supercells
* Export of tight-binding model in Wannier90 format (*_hr.dat*)
* QE-7.2 support (cDFPT patch)
* Dynamical matrices and force constants from XML files

0.19

* Several bugfixes related to supercells and long-range components
* Experimental long-range part of sparse dynamical matrix and coupling

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