The CASINO forum

Thanks for the detailed explanation Neil !

Hi Neil, Many thanks for your reply. Just to be sure, for the total time estimate you suggested (2000 - 3000 cpu hours) you really meant 400 electrons in the unit cell and not 50 (which I had asked originally) ? I guess I am quite surprised by the fact that it seems to be quite fast... I am aware of...

Hello, I have been looking into various quantum chemistry methods and I wanted to ask a quick question about Casino. Given that it is a very well optimized and highly scalable code, I was wondering: How long can I expect a 3D periodic crystal, containing about 50 electrons per unit cell to take, on ...