mirror of https://gitlab.com/QEF/q-e.git
28 lines
1.2 KiB
Plaintext
28 lines
1.2 KiB
Plaintext
Dynamical matrix file
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1 1 2 7.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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1 'Al ' 24590.765652728711
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1 1 0.0000000000 0.0000000000 0.0000000000
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Dynamical Matrix in cartesian axes
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q = ( 0.000000000 0.000000000 0.000000000 )
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1 1
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0.00006612 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
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-0.00000000 0.00000000 0.00006612 0.00000000 0.00000000 0.00000000
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-0.00000000 0.00000000 0.00000000 0.00000000 0.00006612 0.00000000
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Diagonalizing the dynamical matrix
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q = ( 0.000000000 0.000000000 0.000000000 )
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**************************************************************************
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freq ( 1) = 0.170588 [THz] = 5.690218 [cm-1]
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( 0.054569 0.000000 0.147360 0.000000 0.987576 0.000000 )
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freq ( 2) = 0.170588 [THz] = 5.690218 [cm-1]
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( 0.050967 -0.000000 0.987350 -0.000000 -0.150143 0.000000 )
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freq ( 3) = 0.170588 [THz] = 5.690218 [cm-1]
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( -0.997208 0.000000 0.058527 0.000000 0.046369 0.000000 )
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**************************************************************************
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