[Pw_forum] Force contant matrix elements

Yingli Niu niuyingli at gmail.com
Mon Sep 4 07:03:53 CEST 2006


Dear all,
Excuse me for a simple question.
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?



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