[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,
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