[Pw_forum] Force contant matrix elements

Paolo Giannozzi 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)
> 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
DEMOCRITOS and SNS          Fax:     +39/050-563513 
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