vestrum_test_ti_output

计算一般形式弹性张量最优化TI近似的C程序 Computing the optimal TI approximation of a general elastic tensor

Input C matrix:
      16.85        7.88        6.81        0.07       -0.18        0.12 
       7.88       16.03        6.51           0       -0.26       -0.08 
       6.81        6.51       11.14           0       -0.05       -0.04 
       0.07           0           0        3.03        0.01        0.04 
      -0.18       -0.26       -0.05        0.01         3.4       -0.01 
       0.12       -0.08       -0.04        0.04       -0.01        3.89 


Rotated C matrix:
      15.99       7.961       6.481     -0.1837     0.02408      0.1075 
      7.961        16.8       6.803    -0.01492    -0.04876     -0.2312 
      6.481       6.803       11.14     0.07938   0.0004241    0.007733 
    -0.1837    -0.01492     0.07938       3.382    -0.05094   -0.003777 
    0.02408    -0.04876   0.0004241    -0.05094       3.044     0.09384 
     0.1075     -0.2312    0.007733   -0.003777     0.09384       3.941 

TI approximation:
      16.26       8.099       6.642           0           0           0 
      8.099       16.26       6.642           0           0           0 
      6.642       6.642       11.14           0           0           0 
          0           0           0       3.213           0           0 
          0           0           0           0       3.213           0 
          0           0           0           0           0       4.078 

TI approximation in original coordinate system:
      16.24       8.095       6.646    0.008055      -0.167   0.0009279 
      8.095       16.25       6.646     0.01767    -0.07638   0.0009289 
      6.646       6.646       11.15     0.01068     -0.1011   5.739e-05 
   0.008055     0.01767     0.01068       3.215  -0.0001149    -0.04537 
     -0.167    -0.07638     -0.1011  -0.0001149       3.216    0.004777 
  0.0009279   0.0009289   5.739e-05    -0.04537    0.004777       4.076 

Normalized deviation from TI in original coordinate system, in percent:
     1.8378     -0.6448      0.4930      0.1859     -0.0392      0.3573 
    -0.6448     -0.6748     -0.4088     -0.0530     -0.5510     -0.2428 
     0.4930     -0.4088     -0.0417     -0.0321      0.1533     -0.1202 
     0.1859     -0.0530     -0.0321     -0.5553      0.0304      0.2562 
    -0.0392     -0.5510      0.1533      0.0304      0.5517     -0.0443 
     0.3573     -0.2428     -0.1202      0.2562     -0.0443     -0.5571 

distance from TI = 3.464 percent
Symmetry axis: (0.0525, -0.0056, 0.9986)
theta = 96.034,   phi = 3.027