[CP2K-user] Questions about the NEGF in CP2K

Yongda Huang 19838... at qq.com
Sun Jul 5 12:40:39 UTC 2020

Hi all,
 Excuse me, is there any tutorials about using NEGF in CP2K? How to get the 
optimized structure of the device ? How to do the structure optimization of 
the interface ?
 Thanks for every reply.
 Yd Huang
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