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Dynamical matrix file
1 1 2 7.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
1 'Al ' 24590.765652728711
1 1 0.0000000000 0.0000000000 0.0000000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.375000000 0.375000000 )
1 1
0.08361242 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000
0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000
0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.375000000 -0.375000000 )
1 1
0.08361242 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000
-0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000
0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.375000000 -0.375000000 )
1 1
0.08361242 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000
-0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000
-0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.375000000 0.375000000 )
1 1
0.08361242 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000
-0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000
0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.375000000 0.375000000 )
1 1
0.08361242 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000
-0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000
-0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.375000000 -0.375000000 )
1 1
0.08361242 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000
0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000
0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.375000000 0.375000000 )
1 1
0.08361242 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000
0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000
-0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.375000000 -0.375000000 )
1 1
0.08361242 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000
0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000
-0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.375000000 0.375000000 0.375000000 )
**************************************************************************
freq ( 1) = 4.374898 [THz] = 145.930899 [cm-1]
( -0.763441 0.000000 0.130986 0.000000 0.632456 0.000000 )
freq ( 2) = 4.374898 [THz] = 145.930899 [cm-1]
( 0.289524 0.000000 -0.805921 0.000000 0.516398 0.000000 )
freq ( 3) = 8.492395 [THz] = 283.275817 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
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