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New Release v3.0

A new version of the code has been released: v3.0.
The code has change a lot since the last version, due to the long development period without new releases. Here is a non-exhaustive list of changes:

  • Parallelization via MPI: creation of the excitonic Hamiltonian can be carried out in parallel using the message passing interface. The diagonalization of the Hamiltonian can be done also in parallel using the Scalapack routines, but their efficiency is very upsetting. By contrast the Haydock diagonalization is very efficient when done in parallel (but we lose all the details about the excitonic eigenvectors)
  • Parallelization via openmp: the creation of the excitonic Hamiltonian can be done using the openmp scheme, which results in a very convenient and efficient method when shared (vast) memory nodes are available. The diagonalization or iterative inversions (Haydock) is not completed yet.
  • Use of double grid to do a calculation in any possible momentum transfer, even very small.
  • Reading qps file (abinit quasi-particle structure)
  • The Haydock inversion algorithm has been implemented also for the full coupling case (so for non-Hermitian matrices) but has to be tested.


Download this new version of the code
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New Release: v3.1
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A new version of the code has been released: v3.1. Few changes and some bug corrections for this intermediate release.

New Release v3.0
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A new version of the code has been released: v3.0.

Theoretical Spectroscopy Lectures
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Electronic excitations are probed by experimental techniques such as optical absorption, EELS and photo-emission (direct or inverse).

Cecam School on Theoretical Spectroscopy
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Theoretical Spectroscopy Lectures: Theory and Codes