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. P. -- Paolo Giannozzi Phone: +39/050-509876 DEMOCRITOS and SNS Fax: +39/050-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
