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v4.0.1

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@JeromeCCP9 JeromeCCP9 released this 28 Jul 14:30

New license

  • Wannier90 is now released under the Lesser GPL (LGPL v2.1)

New features

  • Higher order finite differences methods [#504]

  • Projectability disentanglement [#448]

  • Spin Hall conductivity according to Ji Hoon Ryoo's method (Phys. Rev. B 99, 235113) [#353]

  • Stengel-Spalding spread functional [#498]

  • Tetrahedron integration for calculating spin Hall conductivity [#431]

  • Translationally invariant formulation for position matrix elements [#533]

  • Update to the CODATA standard version [#649]

  • User specified lists of k-points for plotting [#519]

Various improvements and bugfixes

  • Cmake support (see README.install)

  • Library interface supporting most Wannier90.x functionality with MPI decomposition over k-points

  • Markdown documentation replaces pdf files in the distribution

  • Significant code refactoring for data encapsulation, error handling, etc

  • Very large number of collected bug fixes and corrections, etc.