We are ready to present you a new version of Perturbo - Perturbo 3.0.0! New features and improvements included in this version:

  • Compatibility with QE 7.3/7.3.1
  • GPU support for transport and ultrafast dynamics simulations
  • Spin relaxation times
  • Ultrafast spectroscopy
  • Cumulant method for electronic spectral
  • Calculations on correlated systems (DFT+U/DFPT+U)
  • Quadrupole correction for both 2D/3D systems
  • Interface to TDEP (new version) and SSCHA for anharmonic phonons
  • Bug fixes, performance improvements, test suite added, output format improved and more More details can be found here.