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 |
3.521402730000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
1.300000002091295e-08 |
PASS |
| Force NL |
-7.940090140000000e-02 |
-7.940087380000001e-02 |
9.950000000000000e-09 |
-2.759999999379925e-08 |
FAIL |
| Force SCF |
9.458333290000000e-10 |
-2.157065015000000e-10 |
1.260000000000000e-10 |
1.161539830500000e-09 |
FAIL |
| Force NLCC |
4.763313340000000e-03 |
4.763311910000000e-03 |
3.630000000000000e-10 |
1.430000000357534e-09 |
FAIL |
| Force 1 (x) |
-7.970113280000000e-02 |
-7.970112780000001e-02 |
8.850000000000000e-09 |
-4.999999997368221e-09 |
PASS |
| Force 1 (y) |
-9.836801370000001e-02 |
-9.836802860000000e-02 |
4.920000000000000e-09 |
1.489999999770841e-08 |
FAIL |
| Force 1 (z) |
-4.078780710000000e-02 |
-4.078779960000001e-02 |
2.800000000000000e-09 |
-7.499999989113437e-09 |
FAIL |
| Force 2 (x) |
6.445204650000000e-03 |
6.445241280000001e-03 |
3.270000000000000e-09 |
-3.663000000021788e-08 |
FAIL |
| Force 2 (y) |
3.848244670000000e-03 |
3.848227020000000e-03 |
3.690000000000000e-09 |
1.764999999973038e-08 |
FAIL |
| Force 2 (z) |
-1.012270390000000e-04 |
-1.012183415000000e-04 |
5.940000000000000e-09 |
-8.697499999995185e-09 |
FAIL |
| Force 3 (x) |
4.745142100000000e-03 |
4.745162075000000e-03 |
6.870000000000000e-10 |
-1.997499999954744e-08 |
FAIL |
| Force 3 (y) |
-3.097484390000000e-03 |
-3.097475770000000e-03 |
4.750000000000000e-09 |
-8.619999999816969e-09 |
FAIL |
| Force 3 (z) |
2.981119970000000e-03 |
2.981146940000000e-03 |
6.150000000000000e-09 |
-2.697000000021973e-08 |
FAIL |
| Force 4 (x) |
-7.101464200000000e-03 |
-7.101440000000001e-03 |
3.550000000000000e-07 |
-2.419999999957873e-08 |
PASS |
| Force 4 (y) |
5.100706130000000e-03 |
5.100696780000000e-03 |
2.510000000000000e-09 |
9.349999999935799e-09 |
FAIL |
| Force 4 (z) |
-2.290199390000000e-03 |
-2.290185000000000e-03 |
1.890000000000000e-09 |
-1.438999999974627e-08 |
FAIL |
| Force 5 (x) |
5.637553680000000e-02 |
5.637551220000001e-02 |
8.580000000000000e-09 |
2.459999999537832e-08 |
FAIL |
| Force 5 (y) |
1.471462550000000e-01 |
1.471462820000000e-01 |
9.899999999999999e-09 |
-2.699999998578839e-08 |
FAIL |
| Force 5 (z) |
6.352023590000000e-02 |
6.352023380000001e-02 |
3.180000000000000e-09 |
2.099999993343538e-09 |
PASS |
| Force 6 (x) |
-1.345622330000000e-02 |
-1.345622290000000e-02 |
1.180000000000000e-08 |
-3.999999984016789e-10 |
PASS |
| Force 6 (y) |
6.291711830000000e-04 |
6.291869255000000e-04 |
6.270000000000000e-09 |
-1.574249999997980e-08 |
FAIL |
| Force 6 (z) |
4.477726000000000e-04 |
4.477361900000000e-04 |
4.820000000000000e-09 |
3.641000000001275e-08 |
FAIL |
| Force 7 (x) |
1.797434130000000e-02 |
1.797431300000000e-02 |
8.990000000000000e-10 |
2.829999999620636e-08 |
FAIL |
| Force 7 (y) |
-3.544035510000000e-02 |
-3.544037600000000e-02 |
1.770000000000000e-08 |
2.090000000148917e-08 |
FAIL |
| Force 7 (z) |
2.815434120000000e-02 |
2.815435250000000e-02 |
6.220000000000000e-09 |
-1.130000000515441e-08 |
FAIL |
| Force 8 (x) |
1.471859550000000e-02 |
1.471855800000000e-02 |
7.360000000000000e-09 |
3.749999999934361e-08 |
FAIL |
| Force 8 (y) |
-1.981852400000000e-02 |
-1.981851210000000e-02 |
2.970000000000000e-09 |
-1.189999999928748e-08 |
FAIL |
| Force 8 (z) |
-5.192423610000000e-02 |
-5.192426650000000e-02 |
2.200000000000000e-09 |
3.039999999648879e-08 |
FAIL |