mirror of https://gitlab.com/QEF/q-e.git
2641 lines
202 KiB
Plaintext
2641 lines
202 KiB
Plaintext
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Program POST-PROC v.4.0 starts ...
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Today is 29Apr2008 at 18: 4:38
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Calling punch_plot, plot_num = 11
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Writing data to file Albulkrefpot
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Reading data from file Albulkrefpot
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Requested parallelepiped sides : 1.0000 1.0000 1.0000
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Redefined parallelepiped sides : 1.0000 1.0000 1.0000
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Requested parallelepiped origin: 0.0000 0.0000 0.0000
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Redefined parallelepiped origin: 0.0000 0.0000 0.0000
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Min, Max, Total, Abs charge: 0.000000 0.755461 16.051632320.030230
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CRYSTAL
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PRIMVEC
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4.058789190 0.000000000 0.000000000
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0.000000000 4.058789190 0.000000000
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0.000000000 0.000000000 4.058789190
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PRIMCOORD
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4 1
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Al 0.000000000 0.000000000 0.000000000
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Al 2.029394595 2.029394595 0.000000000
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Al 0.000000000 2.029394595 2.029394595
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Al 2.029394595 0.000000000 2.029394595
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BEGIN_BLOCK_DATAGRID_3D
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3D_PWSCF
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DATAGRID_3D_UNKNOWN
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25 25 25
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0.000000 0.000000 0.000000
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4.058789 0.000000 0.000000
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0.000000 4.058789 0.000000
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0.000000 0.000000 4.058789
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|
|
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|
|
END_DATAGRID_3D
|
|
END_BLOCK_DATAGRID_3D
|
|
Plot Type: 3D Output format: XCrySDen
|