QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: ainunK on September 7, 2021, 18:33
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Hi Sir,
Im currently studying Z-BNNR from this paper "Band Gap Engineering by Carbon doping in Boron Nitride Nanoribbons: First Principle study by Satyendra Singh Chauhan, Shobhna Ferwani".
The attachment files below are the results of Z-BNNR pristine that I tried to follow and study like the one in the paper. I think i have followed the method steps shown in the paper. Sadly, I didnt get the same bandstructure of pristine Z-BNNR as in paper. Am i missing some importance steps ?
Also I have another question, Sir. What are actually the best calculator for BNNR ?
Sir, Im appreciate if you can guide and advise me what should i do next. Thankyou so much :)