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Release 2.1.0

Major Features

  • Option to calculate spin-orbit coupling is added
  • Use of the GPU (OpenACC) for the basic part is supported

Minor changes and bugfixes

Thanks for Contributors

Y. Hirokawa
J.-I. Iwata
Y. Ito
M. Noda
S.A. Sato
T. Takeuchi
M. Uemoto
K. Yabana
A. Yamada
S. Yamada
and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

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Release 2.0.2

Major features

  • No major changes

Minor changes and bugfixes.

  • Support meta-GGA functional for nonorthogonal cell system
  • Update sample input files
  • Fixed many minor bugs (see manual for details)

Thanks for Contributors

Y. Hirokawa
J.-I. Iwata
M. Noda
S.A. Sato
T. Takeuchi
M. Uemoto
K. Yabana
A. Yamada
S. Yamada
and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

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Release 2.0.1

Major Features

  • No major changes

Other Changes and Bug Fixes.

  • Implementation of Jellium model
  • Revival of the projection option for band population analysis.
  • Implementation of 2D maxwell-TDDFT for pulse irradiation of thin films
  • Fixed many minor bugs….

Thanks for Contributors

Y. Hirokawa
J.-I. Iwata
M. Noda
S.A. Sato
T. Takeuchi
M. Uemoto
K. Yabana
A. Yamada
S. Yamada
and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

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Release 2.0.0

Major Features

  • Major upgrade. The source code is radically changed. It is written in Fortran 2003, and extensively uses structures.
  • Oblique Cartesian coordinates are usable.
  • Local spin density approximation.
  • Maxwell-TDDFT simultaneous calculation using a common spatial grid.
  • Two temperature model combined with FDTD calculation.
  • Speedup for large-scale calculation, both for the ground state and the time evolution calculations.
  • Change of parallelization scheme.
  • Change of format of restart datafile.
  • A number of input keywords are added for new functions, and some input keywords are changed from those of version 1.

Bug Fixes and Other Changes

  • Some functions that ran in Version 1 are not yet usable; e.g. projection of orbitals.
  • “GS_RT” option was abolished.
  • CMake version that is required to compile SALMON was changed, ver. 3.14.0 or later.
  • To run SALMON2, it may be necessary to change the inputfile that was used in version1.
  • Samples are also updated.
  • Fixed many minor bugs....

Thanks for Contributors

Y. Hirokawa
M. Noda
S.A. Sato
T. Takeuchi
M. Uemoto
K. Yabana
A. Yamada
S. Yamada
and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers