On Fri, Dec 18, 2015 at 5:41 PM, Mofrad, Amir Mehdi (MU-Student) < [email protected]> wrote: > > 2. The positions of the sodium atoms are not provided at the end of my > geometry optimization. > this should suggest something, doesn't it? (hint: count the atoms, compare with the supplied number of atoms "nat")
P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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