[CP2K-user] Description of the algorithm for plotting PDOS in CP2K

Ref 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!

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200530/eb6e6d5e/attachment.htm>


More information about the CP2K-user mailing list