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Published 20 hours ago • verified publisher icon mrkllntschpp

Question about minimumenergy in tutorial-5

Open Zhang-CMS opened this issue 2 years ago • 0 comments

Dear sir,

Thanks for your input file to calculate the energy of grain boundary. I have an question in tutorial-5. Why the minimumenergy is euqal to -3.36? This item should be the atomic energy in bulk. How did you get this value?

Kind regards, Meng Zhang

Zhang-CMS avatar Nov 09 '23 01:11 Zhang-CMS