[CP2K-user] PDOS in NEGF
Li Mengxuan
limeng... at outlook.com
Mon Mar 15 12:10:17 UTC 2021
Dear cp2k users and developers,
I want to study bias effect on the molecule orbital energy but in the negf
sections I can only get the total dos. Is there any alternative methods to
get the pdos under different bias?
Thank you for your help!
Best regards,
Mengxuan
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