Ciao Feffe,
Siesta can print Mulliken charges - I guess it's the closest to what you
need. Just add *WriteMullikenPop 1* to your input, and it will print the
Mulliken charges at the end of every CG step.
Cheers,
Marcos
On Wed, Mar 28, 2012 at 1:54 PM, Federico Iori wrote:
> Hi all.
>
> Maybe
Hi all.
Maybe a naive question: does Siesta print in output the occupation of
electronic state, thus the number of electrons per electronic state
computed?
I tried to find it out...no way. How can I force Siesta to do it?
Thanks a lot...I am definitely in trouble!
Federico Iori.
--
Dr. Fede
