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dft_tools/test/python/elk/elk_spectralcontours_convert/LATTICE.OUT
2023-04-14 23:43:23 +01:00

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+----------------------------+
| Real-space lattice vectors |
+----------------------------+
vector a1 : 7.260500000 0.000000000 0.000000000
vector a2 : 0.000000000 7.260500000 0.000000000
vector a3 : 0.000000000 0.000000000 7.260500000
Stored column-wise as a matrix :
7.260500000 0.000000000 0.000000000
0.000000000 7.260500000 0.000000000
0.000000000 0.000000000 7.260500000
Inverse of matrix :
0.1377315612 0.000000000 0.000000000
0.000000000 0.1377315612 0.000000000
0.000000000 0.000000000 0.1377315612
Unit cell volume : 382.7362428
+----------------------------------+
| Reciprocal-space lattice vectors |
+----------------------------------+
vector b1 : 0.8653929216 0.000000000 0.000000000
vector b2 : 0.000000000 0.8653929216 0.000000000
vector b3 : 0.000000000 0.000000000 0.8653929216
Stored column-wise as a matrix :
0.8653929216 0.000000000 0.000000000
0.000000000 0.8653929216 0.000000000
0.000000000 0.000000000 0.8653929216
Inverse of matrix :
1.155544464 0.000000000 0.000000000
0.000000000 1.155544464 0.000000000
0.000000000 0.000000000 1.155544464
Brillouin zone volume : 0.6480970070