[Pw_forum] scaling of turbo_lanczos.x

[dario rocca]

2012/1/10 Eduardo Ariel Menendez Proupin <eariel99 at gmail.com>
>
>
> a) the itermax parameter to achieve an equivalent resolution of the
> spectrum (is the same or must be scaled)
>
>
The itermax depends on the cutoff but not on the number of electrons. If
for example in a calculation you use a single or 8 repeated units the total
number of iterations to converge is basically the same (but of course the
convergence should always be tested in each case).
Dario
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120114/252f2f78/attachment.html>