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 : 7.888832000 7.888832000 0.000000000
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vector a2 : 7.888832000 -7.888832000 0.000000000
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vector a3 : 7.888832000 0.000000000 7.888832000
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Stored column-wise as a matrix :
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7.888832000 7.888832000 7.888832000
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7.888832000 -7.888832000 0.000000000
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0.000000000 0.000000000 7.888832000
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Inverse of matrix :
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0.6338073875E-01 0.6338073875E-01 -0.6338073875E-01
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0.6338073875E-01 -0.6338073875E-01 -0.6338073875E-01
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-0.000000000 -0.000000000 0.1267614775
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Unit cell volume : 981.9019399
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+----------------------------------+
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| Reciprocal-space lattice vectors |
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+----------------------------------+
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vector b1 : 0.3982329264 0.3982329264 -0.3982329264
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vector b2 : 0.3982329264 -0.3982329264 -0.3982329264
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vector b3 : -0.000000000 -0.000000000 0.7964658529
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Stored column-wise as a matrix :
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0.3982329264 0.3982329264 -0.000000000
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0.3982329264 -0.3982329264 -0.000000000
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-0.3982329264 -0.3982329264 0.7964658529
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Inverse of matrix :
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1.255546608 1.255546608 0.000000000
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1.255546608 -1.255546608 -0.000000000
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1.255546608 -0.000000000 1.255546608
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Brillouin zone volume : 0.2526221849
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