Can CP2K print PDOS for multiple sets of atoms in one system?

Jannen jingyu... at gmail.com
Wed Jun 20 15:59:59 UTC 2018


Dear CP2K users and developers, 

I want to print the total density of state and also the PDOS of 1..100 
atoms for my system. Can I specify multiple LIST in &LDOS section like 
following? Or Is there any way I can do that?  

            &LDOS
               COMPONENTS TRUE
               LIST  1..288
               LIST 1..588
            &END LDOS

Thanks very much!
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