[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, msoumeli at physics.auth.gr

[Wien] Out of the office.

I will be out of the office starting 03/25/2010 and will not return until 03/29/2010.