1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27
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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 = ( 0.000000000 0.000000000 0.000000000 )
1 1
0.00006821 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00006821 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 -0.00000000 0.00000000 0.00006821 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.000000000 0.000000000 0.000000000 )
**************************************************************************
freq ( 1) = 0.173268 [THz] = 5.779601 [cm-1]
( 0.654403 0.000000 -0.482350 0.000000 0.582318 0.000000 )
freq ( 2) = 0.173268 [THz] = 5.779601 [cm-1]
( 0.236770 0.000000 0.862100 0.000000 0.448021 0.000000 )
freq ( 3) = 0.173268 [THz] = 5.779601 [cm-1]
( -0.718120 0.000000 -0.155311 0.000000 0.678367 0.000000 )
**************************************************************************
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