Francesco Ciccarello

2 Questions 2 Answers 0 Followers

Questions related from Francesco Ciccarello

How to perform a double step optimization with ORCA?

Hello to everyone, I am trying to launch a BLYP optimization with ORCA starting from an already converged calculation at BP level ,exploiting its orbitals and geometry as a guess. I tried...

25 June 2024 3,727 2 View

Why can't I always get the calculation of dynamic (hyper) polarizability with Gaussian16?

Asked 42 seconds ago Hi, I am facing some problems about the CO polarizabilities calculation with gaussian16 chemistry software: if I launch a polar CPHF calculation after a opt freq calculation I...

21 December 2023 4,437 2 View