[CP2K-user] [CP2K:12867] Pdos of graphene

Patrick Gono patri... at gmail.com
Sun Feb 9 07:21:00 UTC 2020


Dear Ebad,

You use PRINT_LEVEL MEDIUM in your GLOBAL section, but the .pdos files are
by default when PRINT_LEVEL is set to DEBUG only.

You simply need to manually switch on the printing of the desired quantity:
&PRINT
    &PDOS  *ON*
        ...
    &END PDOS
&END PRINT

Yours sincerely,
Patrick Gono

On Sun, 9 Feb 2020 at 02:28, Ebad <zubair... at gmail.com> wrote:

> hello everyone!!
> I'm trying to get the pdos of graphene. After running the code, i got the
> output file, but no .pdos file....
> it will be very helpful if i could get a solution....
>
> I'm giving my input and output files...Thanks in advance!!!
>
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