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

Tiziano Müller tiziano... at chem.uzh.ch
Fri Oct 23 07:39:14 UTC 2020

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.


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
> -- 
> You received this message because you are subscribed to the Google 
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send 
> an email to cp... at googlegroups.com 
> <mailto:cp... at googlegroups.com>.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/d09214a9-f2b2-46cb-a031-9148a49a6a2bn%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/d09214a9-f2b2-46cb-a031-9148a49a6a2bn%40googlegroups.com?utm_medium=email&utm_source=footer>.

Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

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

More information about the CP2K-user mailing list