[Pw_forum] input file for isolated atom

Paolo Giannozzi giannozz at democritos.it
Fri Sep 11 13:44:13 CEST 2009


On Sep 11, 2009, at 10:36 , Prasenjit Ghosh wrote:

> (a) while doing calculations for any zero dimensions
> you should always set nosym =.true.

for Gamma-point calculations it shouldn't make any
difference

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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