[Pw_forum] converting CPMD pp's to UPF

Paolo Giannozzi giannozz at democritos.it
Sat Jun 14 17:59:59 CEST 2008


On Jun 12, 2008, at 8:31 , Min Seung Kyu wrote:

> However, during the optimization, the bond length were getting
> longer both LDA and GGA cases.

longer by how much, and with respect to what?

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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