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

Zubair Al Ebad zubair... at gmail.com
Tue Feb 11 10:13:37 UTC 2020


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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