Input 05-polarizability.03-finite-diff.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Polarizability xx |
4.867879000000000e+01 |
4.867881000000000e+01 |
2.430000000000000e-05 |
-1.999999999924285e-05 |
PASS |
| Polarizability yy |
2.701218900000000e+01 |
2.701219700000000e+01 |
1.350000000000000e-05 |
-8.000000001118224e-06 |
PASS |
| Polarizability zz |
2.701217600000000e+01 |
2.701218100000000e+01 |
1.350000000000000e-05 |
-5.000000001587068e-06 |
PASS |
| Born charge xx |
2.295000000000000e-03 |
2.294000000000000e-03 |
1.150000000000000e-05 |
1.000000000000133e-06 |
PASS |
| Born charge yy |
4.826000000000000e-03 |
4.826500000000000e-03 |
5.500000000000000e-07 |
-4.999999999996327e-07 |
PASS |
| Born charge zz |
4.827000000000000e-03 |
4.827000000000001e-03 |
2.410000000000000e-11 |
-8.673617379884035e-19 |
PASS |
| Born charge diff |
3.982000000000000e-03 |
3.982000000000000e-03 |
1.990000000000000e-05 |
0.000000000000000e+00 |
PASS |
| beta xxx |
2.501272300000000e-02 |
-2.516956100000000e-02 |
5.520000000000000e-02 |
5.018228400000001e-02 |
PASS |
| beta zxy |
-1.266123400000000e-02 |
-1.845530800000000e-02 |
6.390000000000000e-03 |
5.794074000000000e-03 |
PASS |