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Commits on Oct 14, 2023

• Release version for repository of NbS₂ paper

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Commits on Oct 11, 2023

• Add function to divide dynamical matrices by masses

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• Set custom number of threads

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• Apply acoustic sum rule to Hessian of MD driver

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Commits on Oct 6, 2023

• Define Hartree energy

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Commits on Oct 1, 2023

• Save Hessian matrix from MD driver to file

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• Calculate Hessian for q = 0 only if sufficient

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• Fix units of q points of dynamical matrices

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• Fix whitespace

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• Warn of missing shared memory in parallel runs only

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• Use accurate fixed-point numbers in .xyz files

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Commits on Sep 29, 2023

• Add vacuum permittivity in SI units

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Commits on Sep 27, 2023

• Initialize tight-binding model from RESPACK data

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• Determine number of Wannier orbitals automatically

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• Read general matrix elements from RESPACK

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• Move function to read dat.Wmat to misc module

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Commits on Sep 20, 2023

• Increment version number and update change log

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• Lowercase unit bohr

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Commits on Sep 13, 2023

• Fix typo in Bravais-lattice index

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• Add symmetry points of further Bravais lattices

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Commits on Sep 8, 2023

• Handle freely defined Bravais lattice (ibrav = 0)

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• Replace GMKG by general path function where possible

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Commits on Sep 7, 2023

• Set frame duration for interactive plots

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• Replace VASP by RESPACK in README

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Commits on Aug 16, 2023

• Fix typo in docstring

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Commits on Aug 7, 2023

• Add cRPA interaction of PRL 106, 236805 (2011)

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Commits on Aug 6, 2023

• Omit unnecessary square brackets

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• Save el.-el. model to file in RESPACK format

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• Move "q2r" for el.-el. model to separate function

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• Use real-space el.-el. interaction from file as is

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Commits on Jul 14, 2023

• Fix index and Fourier convention of el.-el. model

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Commits on Jul 13, 2023

• Generalize el.-el. model to arbitrary q meshes

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Commits on Jul 12, 2023

• Rename squared coupling (thanks to Michael Winter)

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Commits on Jul 7, 2023

• Suppress status bars via verbosity variable

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Commits on Jul 5, 2023

• Fix Wigner-Seitz vectors of TaS2 model

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