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lammps/examples/PACKAGES/phonon/2-1D-diatomic/disp.dat
2021-06-29 11:23:47 -04:00

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# q qr freq
# 2pi/L 2pi/L sqrt(epsilon/(m.sigma^2))
-0.5 0 0 0 0.984716 1.41168
-0.46875 0 0 0.03125 1.00625 1.43003
-0.4375 0 0 0.0625 0.973905 1.43204
-0.40625 0 0 0.09375 0.943149 1.45641
-0.375 0 0 0.125 0.874757 1.49529
-0.34375 0 0 0.15625 0.813743 1.54195
-0.3125 0 0 0.1875 0.754837 1.55803
-0.28125 0 0 0.21875 0.68801 1.58621
-0.25 0 0 0.25 0.625141 1.60413
-0.21875 0 0 0.28125 0.533761 1.64847
-0.1875 0 0 0.3125 0.477876 1.6563
-0.15625 0 0 0.34375 0.396155 1.70947
-0.125 0 0 0.375 0.312932 1.69833
-0.09375 0 0 0.40625 0.231091 1.71695
-0.0625 0 0 0.4375 0.15755 1.72475
-0.03125 0 0 0.46875 0.0953207 1.74272
0 0 0 0.5 1.05367e-08 1.72979
0.03125 0 0 0.53125 0.0953207 1.74272
0.0625 0 0 0.5625 0.15755 1.72475
0.09375 0 0 0.59375 0.231091 1.71695
0.125 0 0 0.625 0.312932 1.69833
0.15625 0 0 0.65625 0.396155 1.70947
0.1875 0 0 0.6875 0.477876 1.6563
0.21875 0 0 0.71875 0.533761 1.64847
0.25 0 0 0.75 0.625141 1.60413
0.28125 0 0 0.78125 0.68801 1.58621
0.3125 0 0 0.8125 0.754837 1.55803
0.34375 0 0 0.84375 0.813743 1.54195
0.375 0 0 0.875 0.874757 1.49529
0.40625 0 0 0.90625 0.943149 1.45641
0.4375 0 0 0.9375 0.973905 1.43204
0.46875 0 0 0.96875 1.00625 1.43003
0.5 0 0 1 0.984716 1.41168