Input 11-silicon_force.03-nosym.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
3.680000000000000e-10 |
0.000000000000000e+00 |
PASS |
| Force Ion-ion |
-3.572645120000000e-01 |
-3.572645120000000e-01 |
1.790000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force Local |
3.521402850000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
2.500000001459668e-08 |
PASS |
| Force NL |
-7.940096070000000e-02 |
-7.940098980000000e-02 |
3.200000000000000e-08 |
2.910000000688751e-08 |
PASS |
| Force SCF |
-1.060671630000000e-09 |
-5.960999440000001e-10 |
5.110000000000000e-10 |
-4.645716860000000e-10 |
PASS |
| Force NLCC |
4.763316150000000e-03 |
4.763317570000001e-03 |
1.560000000000000e-09 |
-1.420000000397492e-09 |
PASS |
| Force 1 (x) |
-7.970118160000000e-02 |
-7.970117590000000e-02 |
6.270000000000000e-09 |
-5.699999999775329e-09 |
PASS |
| Force 1 (y) |
-9.836805490000000e-02 |
-9.836805310000001e-02 |
4.920000000000000e-09 |
-1.799999996277002e-09 |
PASS |
| Force 1 (z) |
-4.078776020000000e-02 |
-4.078776340000000e-02 |
3.410000000000000e-09 |
3.200000001091219e-09 |
PASS |
| Force 2 (x) |
6.445242130000000e-03 |
6.445254650000000e-03 |
1.380000000000000e-08 |
-1.252000000027953e-08 |
PASS |
| Force 2 (y) |
3.848243380000000e-03 |
3.848248040000000e-03 |
5.130000000000000e-09 |
-4.660000000027836e-09 |
PASS |
| Force 2 (z) |
-1.012109240000000e-04 |
-1.012120340000000e-04 |
1.220000000000000e-09 |
1.110000000009888e-09 |
PASS |
| Force 3 (x) |
4.745157880000000e-03 |
4.745180319999999e-03 |
2.470000000000000e-08 |
-2.243999999967244e-08 |
PASS |
| Force 3 (y) |
-3.097468960000000e-03 |
-3.097480900000000e-03 |
1.310000000000000e-08 |
1.193999999999501e-08 |
PASS |
| Force 3 (z) |
2.981116120000000e-03 |
2.981107500000000e-03 |
9.480000000000000e-09 |
8.620000000250649e-09 |
PASS |
| Force 4 (x) |
-7.101407850000000e-03 |
-7.101440000000001e-03 |
3.550000000000000e-07 |
3.215000000077184e-08 |
PASS |
| Force 4 (y) |
5.100712050000000e-03 |
5.100729830000000e-03 |
1.960000000000000e-08 |
-1.778000000007829e-08 |
PASS |
| Force 4 (z) |
-2.290196350000000e-03 |
-2.290206100000000e-03 |
1.070000000000000e-08 |
9.750000000505882e-09 |
PASS |
| Force 5 (x) |
5.637550980000000e-02 |
5.637551670000000e-02 |
7.590000000000000e-09 |
-6.899999994980366e-09 |
PASS |
| Force 5 (y) |
1.471462690000000e-01 |
1.471462550000000e-01 |
1.540000000000000e-08 |
1.399999999263102e-08 |
PASS |
| Force 5 (z) |
6.352028970000000e-02 |
6.352027280000000e-02 |
1.860000000000000e-08 |
1.689999999665570e-08 |
PASS |
| Force 6 (x) |
-1.345619730000000e-02 |
-1.345620240000000e-02 |
5.670000000000000e-09 |
5.100000000438087e-09 |
PASS |
| Force 6 (y) |
6.291788060000000e-04 |
6.291771450000000e-04 |
1.830000000000000e-09 |
1.660999999976605e-09 |
PASS |
| Force 6 (z) |
4.477176320000000e-04 |
4.477447450000000e-04 |
2.980000000000000e-08 |
-2.711300000002781e-08 |
PASS |
| Force 7 (x) |
1.797434050000000e-02 |
1.797432180000000e-02 |
2.060000000000000e-08 |
1.869999999987160e-08 |
PASS |
| Force 7 (y) |
-3.544033300000000e-02 |
-3.544033750000000e-02 |
4.950000000000000e-09 |
4.500000004570293e-09 |
PASS |
| Force 7 (z) |
2.815432170000000e-02 |
2.815431725000000e-02 |
4.890000000000000e-09 |
4.449999996963827e-09 |
PASS |
| Force 8 (x) |
1.471853640000000e-02 |
1.471854975000000e-02 |
1.470000000000000e-08 |
-1.335000000303455e-08 |
PASS |
| Force 8 (y) |
-1.981854640000000e-02 |
-1.981853850000000e-02 |
8.690000000000000e-09 |
-7.900000001392904e-09 |
PASS |
| Force 8 (z) |
-5.192427760000000e-02 |
-5.192426080000000e-02 |
1.850000000000000e-08 |
-1.679999999532056e-08 |
PASS |