Version.2.2.1

Release 2.2.1

Major Features

• No major changes.

Minor changes and bugfixes.

• SALMON v.2.2.1 supports the GPU acceleration for DFT/TDDFT computation by OpenACC (Nvidia HPC SDK v23.11 is verified).
• SALMON v.2.2.1 supports the preconditioning of the CG method for accelerating the DFT computation (yn_preconditioning).
• SALMON v.2.2.1 supports compilation by GNU Compiler Collection (GCC).
• SALMON v.2.2.1 supports an option to read a .cube file of the initial electron density for accelerating the DFT computation (method_init_density='read_dns_cube’).
• Some other input variables are added.
• Some minor bugs are fixed.
  see the manual for details:
  https://salmon-tddft.jp/webmanual/v_2_2_1/html/release_log.html

Thanks for Contributors

S. Yamada
M. Uemoto
T. Takeuchi
M. Noda
Metro Inc.
and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

Version 2.2.0

Release 2.2.0

Major Features

• SALMON v.2.2.0 supports the semiconductor Bloch equation (SBE) and the multiscale Maxwell-SBE method.
• SALMON v.2.2.0 enables new Poisson equation solvers (Fourier transform and Dirichlet boundary conditions method) for isolated systems.
• SALMON v.2.2.0 includes new exercises (SBE, FDTD).

Minor changes and bugfixes.

• Some input variables (including trial version) are added.
• Fixed minor bugs
  see manual for details:
  https://salmon-tddft.jp/webmanual/v_2_2_0/html/release_log.html

Thanks for Contributors

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

Version 2.1.0

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

• Some input variables (including trial version) are added.
• Fixed minor bugs
  see manual for details:
  https://salmon-tddft.jp/webmanual/v_2_1_0/html/release_log.html

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

Version 2.0.2

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

Version 2.0.1

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

Version 2.0.0

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