[CP2K-user] [CP2K:20935] About pdos

[Lakshmi Anil]

Hi,
Thank you for the suggestion.I didn't get any error messages. All of them
were converging too. The only thing is that it's not printing the .pdos
file. I will try this and will get back to you.

Kind Regards,
Lakshmi

On Fri, Nov 29, 2024, 8:55 AM Lukas Cvitkovich <l.cvitkovich at gmail.com>
wrote:

> 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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