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@giovannipizzi giovannipizzi released this 15 Feb 09:15
· 1192 commits to develop since this release
v3.1.0
1d6b187
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Learn about vigilant mode.

New features

  • Calculation of spin Hall conductivity according to the formalism given in Junfeng Qiao, Jiaqi Zhou, Zhe Yuan and Weisheng Zhao, PRB 98, 214402 (2018) + examples 29 and 30 and tests [#264]

  • Implementation of the SCDM method in Wannier90 for spinor wavefunctions and added example31 for the tutorial [#277]

  • Utility w90spn2spn.x for conversion between formatted and unformatted .spn files [#274]

Various improvements and bugfixes

  • Add install target for make, now make install works [#307]

  • Added new documentation and fixed typos [#308] [#256] [#306] [#300]

  • small restructuring of the routines for the AHC calculation with multiple Fermi energies and adaptive refinement [#289]

  • Fix in restart mode (now gathering matrices before dumping .chk file) [#283]

  • Fix pw90common_fourier_R_to_k subroutines bugs when use_ws_distance = .true. [#273][#271]

  • Fixes and speed improvements in pw2wannier90.f90 [#295] [#255]

  • Bug fixes of gw2wannier90.py and k_mapper.py [#294]

  • Various bugfixes in input reading and output generation [#309] [#290] [#270] [#266] [#258]

  • Adding tests for BoltzWann (at least for the electrical conductivity) [#282]

  • Bug fixed in the disentanglement step with SAWFs, especially when running in parallel [#315]

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