[Wien] Force convergence within SCF cycle

[Oleg Rubel]

Dear Stefaan,

Thank you very much.

On Tue, 6 Jun 2006, Stefaan Cottenier wrote:

> If you would remove the -I and put FOR manually right from the start,
> you would see the number converging to 81 directly, but it would take an
> unnecessary amount of extra computer time in lapw2.

Do you mean ~>min -i 100 -s 10 -j 'run_lapw -FOR -i 40 -fc 1.0 '?


Oleg Rubel