[Pw_forum] Force contant matrix elements
niuyingli at gmail.com
Mon Sep 4 12:29:36 CEST 2006
On 9/4/06, Paolo Giannozzi <giannozz at nest.sns.it> wrote:
> On Monday 04 September 2006 07:03, Yingli Niu wrote:
> > As we know that force contant matrix elements are stored in the case.
> > fc file. FC(j1,j2,atom1,atom2,m1,m2,m3)
> > Question:
> > j1,j2 is along x,y,z(Cartesian coordinates)
> > or
> > j1,j2 is along a,b,c(Crystal coordinates)
> > Which one is right?
> cartesian, if I remember correctly.
> Paolo Giannozzi Phone: +39/050-509876
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