[CP2K-user] [CP2K:14101] Print total DOS?

[Nicholas Winner]

Mathias, that makes sense. Thank you for the explanation.

On Friday, October 23, 2020 at 1:32:35 AM UTC-7 Matthias Krack wrote:

> Hello Nick
>
>  
>
> The print keyword DOS 
> <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/DOS.html> 
> was only implemented in Jan 2020, i.e. after the release of CP2K v7.1, and 
> thus it is only available in the current CP2k development version 8.0.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From:* c... at googlegroups.com <c... at googlegroups.com> *On Behalf Of *Nicholas 
> Winner
> *Sent:* Freitag, 23. Oktober 2020 07:36
> *To:* cp2k <c... at googlegroups.com>
> *Subject:* [CP2K:14101] Print total DOS?
>
>  
>
> Hello all,
>
>  
>
> The manual indicates that force_eval/dft/print/dos can be used to print 
> the total density of states, but, when I include this section in my input 
> file, cp2k says it is unrecognized.
>
>  
>
> Any insight on how to rectify this? I can always sum up the PDOS data, but 
> it seems strange that the overall dos could not be printed by the program.
>
>  
>
> Thanks,
>
> Nick Winner
>
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