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Date: 2017/06/26 06:49
Transport depends on bandgap, electron mass ,...
As we know dft underestimate bandgap. Is the I-V curve overestimated by dft-negf?
( No.1 )
Date: 2017/06/27 14:27
As you think, the I-V characteristic should reflect underestimated LDA/GGA band gaps.