abinit/tests/tutorespfn/TutoNLO/PART1-DFPT/raman_fdiff.sci

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579 B
Scilab

eps_eq = [ 9.9484608457 0.0000000000 0.0000000000
0.0000000000 9.9484608457 0.0000000000
0.0000000000 0.0000000000 9.9484608457];
eps_pos = [ 9.9488281596 0.0000000009 0.0000000009
0.0000000004 9.9486321634 -0.0133978975
0.0000000004 -0.0133978970 9.9486321630];
eps_neg = [ 9.9488281561 0.0000000000 0.0000000000
0.0000000000 9.9486321602 0.0133978972
0.0000000000 0.0133978972 9.9486321602];
dchi_dtau = (eps_pos - eps_neg)/(0.02*4*%pi);
disp(dchi_dtau)
quit