Thanks! On Wed, Nov 5, 2014 at 1:34 PM, Paolo Giannozzi <[email protected]> wrote:
> On Tue, 2014-11-04 at 23:12 -0800, Navaneetha Krishnan wrote: > > > I am trying to calculate the IFCs for a FCC lattice (Al) for a few > > nearest neighbours. I was following a set of threads, which led me to > > this one : > > > > http://www.democritos.it/pipermail/pw_forum/2009-August/013613.html > > > Could someone elaborate on the statement (in this webpage), > > "Notice also that the force constant grid is written as these were > > periodic ... > > so in a 4x4x4 grid R(1,1,1) = 0, R(2,1,1,) = a1, and R(4,1,1)=-a1"? > > > > More specifically, what is R(3, 1, 1) in this case? > > 2*a1 > > Paolo > > > Thanks a lot! > > -- > > Navaneeth > > Caltech > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > -- Navaneetha Krishnan Ravichandran, Graduate Student, Mechanical Engineering, Caltech.
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