Dear users. I am trying to calculate cohesive energy. As it is mentioned in FAQ, we must create FCC supercell and also use identical RKmax and RMT. Now i have two question?
1- Can i choose Cubic (P) supercell instead of FCC. In other words, is there any reason for that choosing? 2- what is the good or best value for RKmax or RMT. (actually i automatically chose RMT for one element equal to 2.5 and consequently RKmax also 2.5. Is this value valid?) Thank you in advance.
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