New features and improvements included in the 2.2 version of PERTURBO:

  • dynamics: stop rt-BTE when a drift acceleration threshold is reached (boltz_acc_thr parameter)
  • transport and dynamics: exclude selected phonon modes (ph_mode_exclude_ranges parameter)
  • setup <prefix>: temper file format changed (set find_efermi input parameter in pert.in instead of T or F in the temper file)
  • for developers: automatic input parameter f90 files generation from the YAML file
  • testing: new test cases and improved behavior on GitHub actions
  • compilation: added examples of Perturbo configuration files make.sys in the config folder
  • minor improvements and bug fixes