• Rasscf(RAS1,RAS3) tight e …
  • Core excitation with RASSCF
  • LprOrb file from scf calc …
  • Problems with rasscf
  • [SOLVED] Non-adiabatic co …
  • [SOLVED] Geo Opt and Orbi …
  • [SOLVED] Failure with Wat …
  • Need help for Openmolcas …
  • [SOLVED] RASSI-SOC calcul …
  • Obtaining isotopic shift …
  • OpenMolcas 8.4: Failing s …
  • Problem with fortran comp …
  • Estimation of the memory …
  • the effect of distant group
  • NAC in CASPT2 level?