Enh extrapolation

  • Add ab initio Green Kubo method and tutorials
  • Update Phono3py and add documentations
  • Update ForceConstants and DynamicalMatrix objects
  • Heatflux unit updated from eV/AA^2/ps to eV/AA^2/fs

Most code follows branch enh_hma.

Edited by Shuo Zhao

Merge request reports

Loading