To repeat, in cubic all your atoms are at high symmetry sites so internal relaxation is not possible. User error, the program is telling you. Please think it through.
N.B., to compare at the end you will need to convert everything to the smallest RMTs. _____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu
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