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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 = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.09708723 0.00000000 0.05231868 0.00000000 0.05231868 0.00000000
0.05231868 0.00000000 0.09708723 0.00000000 0.05231868 0.00000000
0.05231868 0.00000000 0.05231868 0.00000000 0.09708723 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 -0.500000000 )
1 1
0.09708723 0.00000000 -0.05231868 0.00000000 -0.05231868 0.00000000
-0.05231868 0.00000000 0.09708723 0.00000000 0.05231868 0.00000000
-0.05231868 0.00000000 0.05231868 0.00000000 0.09708723 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.09708723 0.00000000 -0.05231868 0.00000000 0.05231868 0.00000000
-0.05231868 0.00000000 0.09708723 0.00000000 -0.05231868 0.00000000
0.05231868 0.00000000 -0.05231868 0.00000000 0.09708723 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 -0.500000000 0.500000000 )
1 1
0.09708723 0.00000000 0.05231868 0.00000000 -0.05231868 0.00000000
0.05231868 0.00000000 0.09708723 0.00000000 -0.05231868 0.00000000
-0.05231868 0.00000000 -0.05231868 0.00000000 0.09708723 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.500000000 0.500000000 0.500000000 )
**************************************************************************
freq ( 1) = 4.438902 [THz] = 148.065820 [cm-1]
( 0.258579 0.000000 0.541421 0.000000 -0.800000 0.000000 )
freq ( 2) = 4.438902 [THz] = 148.065820 [cm-1]
( 0.774470 0.000000 -0.611171 0.000000 -0.163299 0.000000 )
freq ( 3) = 9.422550 [THz] = 314.302429 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
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