[Pw_forum] Force contant matrix elements
giannozz at nest.sns.it
Mon Sep 4 10:55:23 CEST 2006
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)
> j1,j2 is along x,y,z(Cartesian coordinates)
> 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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