Release of exciting Boron-10

We are happy to present exciting boron-10, a new isotope release of the exciting code.

  • Name: exciting boron-10 (download exciting.boron-10.tar.gz)
  • Release date: 9 Dec 2015
  • Main new features:
    • OpenMP parallelization is revised and extended to the full groundstate module.
    • The performance of the implementation of the BSE and TDDFT modules is drastically improved.
    • Matrix elements of plane waves in BSE and TDDFT can be calculated either using linear algebra or FFT.
    • exciting can use FFT routines also from MKL and FFTW.
    • Two new general methods for treating Van-der-Waals dispersive interactions are included as postprocessing correction methods (DFT-D2 and TS-vdW). Corrections are implemented for both energies and forces, thus allowing for structure optimization within the unit cell using dispersive forces.
    • Hybrid functionals are now available.
    • The implementation of the DFT-1/2 method for calculations of excited states for non spin-polarized calculations is included.
    • New bootstrap and RPA-bootstrap kernels of TDDFT are added to the XS module.
    • New script tools are added to the existing one.
    • Dipole correction for surface supercell calculations (L. Bengtsson, Phys. Rev. B 59, 12301 (1999)) is implemented.

Important considerations on boron-10

All previous releases of exciting can be found here.

December 2015
(The exciting team)
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