[CP2K-user] Description of the algorithm for plotting PDOS in CP2K
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mikhail19... at gmail.com
Sat May 30 13:37:26 UTC 2020
Hi, I'm a new CP2K user.
I'm trying to figure out how cp2k counts the PDOS (projected density of
states). On the project site, I could find only an example of the exercise
in which the PDOS is built (
https://www.cp2k.org/exercises:2017_uzh_cmest:pdos), but the construction
is described there only from the point of view of computer code and it does
not describe how the algorithm works.
Can anyone please explain the implementation of the algorithm in CP2K?
Thanks in advance for your assistance!
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