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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