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Dynamical matrix file
Phonon dispersions for Al
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 = ( 0.125000000 0.125000000 0.125000000 )
1 1
0.01441455 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000
0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000
0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 -0.125000000 )
1 1
0.01441455 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000
-0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000
0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 -0.125000000 )
1 1
0.01441455 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000
-0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000
-0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 0.125000000 )
1 1
0.01441455 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000
-0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000
0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 0.125000000 )
1 1
0.01441455 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000
-0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000
-0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 -0.125000000 )
1 1
0.01441455 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000
0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000
0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 0.125000000 )
1 1
0.01441455 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000
0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000
-0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 -0.125000000 )
1 1
0.01441455 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000
0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000
-0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.125000000 0.125000000 0.125000000 )
**************************************************************************
freq ( 1) = 1.899650 [THz] = 63.365514 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 1.899650 [THz] = 63.365514 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 3.437348 [THz] = 114.657580 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
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