[Pw_forum] ATOMIC_POSITIONS after 'final coordinates'

Paolo Giannozzi giannozz at democritos.it
Wed Sep 7 17:45:26 CEST 2011


Most likely the damped dynamics algorithm updates the
atomic positions one last time before printing them

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







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