[CP2K-user] Adding gate and gate oxide in NEGF calculations

Shubham Tyagi shubham... at gmail.com
Wed Jun 23 07:46:56 UTC 2021

Dear cp2k community,

I am new to cp2k and I am currently going through papers based on cp2k and 
its manual. In the reference section of NEGF calculations by cp2k (OMEN), 
there is this paper:


In this the author have simulated a FET using cp2k. I went through the NEGF 
section of cp2k but can't find any option where we can add gate or gate 
oxide. So, is there someone who has utilized cp2k for adding gate and all? 
If so can they share their input on how to do that. Any help is appreciated.

Shubham Tyagi
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