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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 = ( -0.250000000 0.250000000 -0.250000000 )
1 1
0.04910765 0.00000000 -0.02107086 0.00000000 0.02107086 0.00000000
-0.02107086 0.00000000 0.04910765 0.00000000 -0.02107086 0.00000000
0.02107086 0.00000000 -0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 -0.250000000 -0.250000000 )
1 1
0.04910765 0.00000000 -0.02107086 0.00000000 -0.02107086 0.00000000
-0.02107086 0.00000000 0.04910765 0.00000000 0.02107086 0.00000000
-0.02107086 0.00000000 0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 -0.250000000 0.250000000 )
1 1
0.04910765 0.00000000 -0.02107086 0.00000000 0.02107086 0.00000000
-0.02107086 0.00000000 0.04910765 0.00000000 -0.02107086 0.00000000
0.02107086 0.00000000 -0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 0.250000000 0.250000000 )
1 1
0.04910765 0.00000000 0.02107086 0.00000000 0.02107086 0.00000000
0.02107086 0.00000000 0.04910765 0.00000000 0.02107086 0.00000000
0.02107086 0.00000000 0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 -0.250000000 -0.250000000 )
1 1
0.04910765 0.00000000 0.02107086 0.00000000 0.02107086 0.00000000
0.02107086 0.00000000 0.04910765 0.00000000 0.02107086 0.00000000
0.02107086 0.00000000 0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 -0.250000000 0.250000000 )
1 1
0.04910765 0.00000000 0.02107086 0.00000000 -0.02107086 0.00000000
0.02107086 0.00000000 0.04910765 0.00000000 -0.02107086 0.00000000
-0.02107086 0.00000000 -0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 0.250000000 0.250000000 )
1 1
0.04910765 0.00000000 -0.02107086 0.00000000 -0.02107086 0.00000000
-0.02107086 0.00000000 0.04910765 0.00000000 0.02107086 0.00000000
-0.02107086 0.00000000 0.02107086 0.00000000 0.04910765 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 0.250000000 -0.250000000 )
1 1
0.04910765 0.00000000 0.02107086 0.00000000 -0.02107086 0.00000000
0.02107086 0.00000000 0.04910765 0.00000000 -0.02107086 0.00000000
-0.02107086 0.00000000 -0.02107086 0.00000000 0.04910765 0.00000000
Diagonalizing the dynamical matrix
q = ( -0.250000000 0.250000000 -0.250000000 )
**************************************************************************
freq ( 1) = 3.512797 [THz] = 117.174310 [cm-1]
( -0.389822 0.000000 -0.816223 0.000000 -0.426401 0.000000 )
freq ( 2) = 3.512797 [THz] = 117.174310 [cm-1]
( -0.717430 0.000000 -0.021119 0.000000 0.696311 0.000000 )
freq ( 3) = 6.337296 [THz] = 211.389428 [cm-1]
( 0.577350 0.000000 -0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
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