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Questions related from Wun-Fan Li
Dear RG members, I would like to post a question here concerning expanded lattice constant obtained by vdW+SOC calculations. My system is a unitcell of 2D WS2 monolayer. I was searching for the...
30 November 2015 5,123 5 View
Does anyone know that if there exists any DFT code which can calculate formation energy of charged defects on surfaces? I can only find the method devised by Dr. Komsa et al in PRL 110, 095505...
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