[Pw_forum] *.fc file in PW_SCF help.

Paolo Giannozzi giannozz at democritos.it
Sat Aug 1 15:07:11 CEST 2009


On Aug 1, 2009, at 11:04 , xirainbow wrote:

> What the meaning of "force constant between one atom and its self"?

what is the meaning of "force constants"? ( hint: second derivative of
the energy with respect to atomic displacements )

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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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