mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 12:03:50 +01:00
42 lines
1.4 KiB
Plaintext
42 lines
1.4 KiB
Plaintext
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+----------------------------+
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| Real-space lattice vectors |
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+----------------------------+
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vector a1 : 6.750100000 0.000000000 0.000000000
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vector a2 : 0.000000000 6.750100000 0.000000000
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vector a3 : 0.000000000 0.000000000 6.750100000
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Stored column-wise as a matrix :
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6.750100000 0.000000000 0.000000000
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0.000000000 6.750100000 0.000000000
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0.000000000 0.000000000 6.750100000
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Inverse of matrix :
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0.1481459534 0.000000000 0.000000000
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0.000000000 0.1481459534 0.000000000
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0.000000000 0.000000000 0.1481459534
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Unit cell volume : 307.5605440
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+----------------------------------+
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| Reciprocal-space lattice vectors |
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+----------------------------------+
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vector b1 : 0.9308284777 0.000000000 0.000000000
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vector b2 : 0.000000000 0.9308284777 0.000000000
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vector b3 : 0.000000000 0.000000000 0.9308284777
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Stored column-wise as a matrix :
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0.9308284777 0.000000000 0.000000000
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0.000000000 0.9308284777 0.000000000
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0.000000000 0.000000000 0.9308284777
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Inverse of matrix :
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1.074311781 0.000000000 0.000000000
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0.000000000 1.074311781 0.000000000
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0.000000000 0.000000000 1.074311781
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Brillouin zone volume : 0.8065085666
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