Added the MPI parallelization to the Lanczos in the supercell

SSCHAcode / python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).

GNU General Public License v3.0

55 stars 21 forks source link

Closed mesonepigreco closed 3 years ago

mesonepigreco commented 5 years ago

Merging of the branch that is able to compute the dynamical Lanczos with the MPI parallelization