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

[Tiziano Müller]

Hi Nick,

without posting the (relevant portion) of the input and the exact error 
message it gets difficult to diagnose. You can see whether `cp2klint` 
(from the `cp2k-input-tools` Python package) gives a better error message.

Best,
Tiziano

On 10/23/20 7:35 AM, Nicholas Winner wrote:
> 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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Tiziano Müller
University of Zurich
Department of Chemistry
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CH-8057 Zürich

Tel: +41 44 63 54234
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tiziano... at chem.uzh.ch