[Pw_forum] error in vc-md at 700K, 72GPa calculations

Paolo Giannozzi giannozz at democritos.it
Thu Jun 30 16:19:26 CEST 2011


On Jun 30, 2011, at 14:08 , WANG Wei wrote:

>    press = 72000000.0D0,    ! 72GPa

really?

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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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