[Pw_forum] *.fc file in PW_SCF help.

Paolo Giannozzi giannozz at democritos.it
Fri Jul 31 17:33:54 CEST 2009


Mikiyas Tsegaye wrote:

> what about the interaction  
> terms for the atoms within the same unit cell?

what do you think the set of indices before each block
of force constants stand for? alpha beta na nb, and
what follows is C_{na \alpha, nb \beta}(R)

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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