[Wien] Iterative diagonalization in SCF cycles
Than you for your reply. I will check it. M.Soumelidou
[Wien] Out of the office.
I will be out of the office starting 03/25/2010 and will not return until 03/29/2010.
[Wien] Iterative diagonalization in SCF cycles
Again, you can check it by enforcing a full diagonalization after the case converged with -it. In my experience, the iterative diagonalization was always accurate. Oleg >>> On 3/24/2010 at 3:33 PM, in message <20100324213325.819170kmzv9uzy0w at mail.physics.auth.gr>, wrote: > At first I tried