mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 03:53:48 +01:00
c202286341
* elk-transport * minor updates * specify explicitly fortran compiler and python exe in CMAKE Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
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 : 7.260500000 0.000000000 0.000000000
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vector a2 : 0.000000000 7.260500000 0.000000000
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vector a3 : 0.000000000 0.000000000 7.260500000
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Stored column-wise as a matrix :
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7.260500000 0.000000000 0.000000000
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0.000000000 7.260500000 0.000000000
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0.000000000 0.000000000 7.260500000
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Inverse of matrix :
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0.1377315612 0.000000000 0.000000000
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0.000000000 0.1377315612 0.000000000
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0.000000000 0.000000000 0.1377315612
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Unit cell volume : 382.7362428
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+----------------------------------+
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| Reciprocal-space lattice vectors |
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+----------------------------------+
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vector b1 : 0.8653929216 0.000000000 0.000000000
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vector b2 : 0.000000000 0.8653929216 0.000000000
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vector b3 : 0.000000000 0.000000000 0.8653929216
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Stored column-wise as a matrix :
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0.8653929216 0.000000000 0.000000000
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0.000000000 0.8653929216 0.000000000
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0.000000000 0.000000000 0.8653929216
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Inverse of matrix :
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1.155544464 0.000000000 0.000000000
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0.000000000 1.155544464 0.000000000
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0.000000000 0.000000000 1.155544464
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Brillouin zone volume : 0.6480970070
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