[CP2K-user] [CP2K:20934] About pdos

[Lukas Cvitkovich]

Hi!

Do you get any error message?
Does the calculation work otherwise?
The input file looks fine on the first glance but maybe you want to try 
with a simpler version:

   &PDOS ON
     NLUMO 2
     ADD_LAST NUMERIC
   &END PDOS

Cheers,
Lukas

On 11/29/24 00:44, Lakshmi Anil wrote:
> Dear All,
> I have been using this software for the past few months. However, I am 
> now facing an issue with printing the PDOS. First, I tried it with my 
> system, but it did not work. Then, I tried it with a small molecule, 
> and the same issue occurred. Could anyone please help me identify if 
> there is anything wrong with the input I am providing?
> Also, I am attaching the input file along with this email.
> Looking forward for the reply.
>
> Kind Regards,
> Lakshmi.
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