LATTICE.OUT 1.43 KB
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Pardini, Lorenzo (lopa) committed
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+----------------------------+
| Real-space lattice vectors |
+----------------------------+

vector a1 :    3.826700000       3.826700000       0.000000000    
vector a2 :    3.826700000       0.000000000       3.826700000    
vector a3 :    0.000000000       3.826700000       3.826700000    

Stored column-wise as a matrix :
   3.826700000       3.826700000       0.000000000    
   3.826700000       0.000000000       3.826700000    
   0.000000000       3.826700000       3.826700000    

Inverse of matrix :
  0.1306608827      0.1306608827     -0.1306608827    
  0.1306608827     -0.1306608827      0.1306608827    
 -0.1306608827      0.1306608827      0.1306608827    

Unit cell volume :    112.0735800    


+----------------------------------+
| Reciprocal-space lattice vectors |
+----------------------------------+

vector b1 :   0.8209665387      0.8209665387     -0.8209665387    
vector b2 :   0.8209665387     -0.8209665387      0.8209665387    
vector b3 :  -0.8209665387      0.8209665387      0.8209665387    

Stored column-wise as a matrix :
  0.8209665387      0.8209665387     -0.8209665387    
  0.8209665387     -0.8209665387      0.8209665387    
 -0.8209665387      0.8209665387      0.8209665387    

Inverse of matrix :
  0.6090382207      0.6090382207      -0.000000000    
  0.6090382207      -0.000000000      0.6090382207    
  -0.000000000      0.6090382207      0.6090382207    

Brillouin zone volume :    2.213280003