PDOS

[marci]

Hi Carlo
the quickest way is to define each atom for which you want the PDOS as
a different kind, since the PDOS is given per kind.
Implementing the PDOS per atom is of course possible, but maybe not
very useful
in most of the cases. I would rather go for the PDOS for a sub-set of
atoms,
so that one can list in  input the atoms on which  the DOS should be
projected.

ciao
Marcella


On Feb 13, 10:44 am, carlo antonio pignedoli <c.pig... at gmail.com>
wrote:
> Dear all,
>
> in a DFT QS GPW calculation,
> is there a quick way in  CP2K_INPUT / FORCE_EVAL / DFT / PRINT / PDOS
> to have the PDOS for every single atom?
>
> Ciao
>
> Carlo