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negf optimization
Date: 2018/12/26 18:25
Name: math

Dear all
How can i optimize my structure which consist of different type of atoms in leads and channel for negf calculation(different unit cell in channel and leads)? I optimized leads and channel separately using optc1 (variable cell relaxation) but i dont know how to connect leads and channel to create junction(cell optimization or geometry?).
thanks
e
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