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

[Zubair Al Ebad]

Dear Patrick,
Thank you very much for your kind concern.
I've changed my input file by setting pdos ON but still not getting any
.pdos file....I've used the terminal command-- mpirun -n 2 cp2k.popt -i
graphene_pdos.inp -o graphene_pdos.out &

Here's my input and only output file attached....

On Sun, Feb 9, 2020 at 1:21 PM Patrick Gono <patri... at gmail.com> wrote:

> 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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