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 |
3.521402600000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force NL |
-7.940088280000000e-02 |
-7.940087380000001e-02 |
9.950000000000000e-09 |
-8.999999995262797e-09 |
PASS |
| Force SCF |
-3.306058880000000e-10 |
-2.157065015000000e-10 |
1.260000000000000e-10 |
-1.148993865000000e-10 |
PASS |
| Force NLCC |
4.763312240000000e-03 |
4.763311910000000e-03 |
3.630000000000000e-10 |
3.300000004161086e-10 |
PASS |
| Force 1 (x) |
-7.970113580000000e-02 |
-7.970112780000001e-02 |
8.850000000000000e-09 |
-7.999999995789153e-09 |
PASS |
| Force 1 (y) |
-9.836803030000001e-02 |
-9.836802860000000e-02 |
4.920000000000000e-09 |
-1.700000001880753e-09 |
PASS |
| Force 1 (z) |
-4.078780220000000e-02 |
-4.078779960000001e-02 |
2.800000000000000e-09 |
-2.599999993080360e-09 |
PASS |
| Force 2 (x) |
6.445244250000000e-03 |
6.445241280000001e-03 |
3.270000000000000e-09 |
2.969999999408168e-09 |
PASS |
| Force 2 (y) |
3.848223670000000e-03 |
3.848227020000000e-03 |
3.690000000000000e-09 |
-3.350000000491848e-09 |
PASS |
| Force 2 (z) |
-1.012237410000000e-04 |
-1.012183415000000e-04 |
5.940000000000000e-09 |
-5.399499999986733e-09 |
PASS |
| Force 3 (x) |
4.745162700000000e-03 |
4.745162075000000e-03 |
6.870000000000000e-10 |
6.249999996710276e-10 |
PASS |
| Force 3 (y) |
-3.097471450000000e-03 |
-3.097475770000000e-03 |
4.750000000000000e-09 |
4.320000000085367e-09 |
PASS |
| Force 3 (z) |
2.981152530000000e-03 |
2.981146940000000e-03 |
6.150000000000000e-09 |
5.589999999781187e-09 |
PASS |
| Force 4 (x) |
-7.101430000000000e-03 |
-7.101440000000001e-03 |
3.550000000000000e-07 |
1.000000000080797e-08 |
PASS |
| Force 4 (y) |
5.100699060000000e-03 |
5.100696780000000e-03 |
2.510000000000000e-09 |
2.279999999563187e-09 |
PASS |
| Force 4 (z) |
-2.290183280000000e-03 |
-2.290185000000000e-03 |
1.890000000000000e-09 |
1.720000000066113e-09 |
PASS |
| Force 5 (x) |
5.637550440000000e-02 |
5.637551220000001e-02 |
8.580000000000000e-09 |
-7.800000006996655e-09 |
PASS |
| Force 5 (y) |
1.471462730000000e-01 |
1.471462820000000e-01 |
9.899999999999999e-09 |
-8.999999995262797e-09 |
PASS |
| Force 5 (z) |
6.352023129999999e-02 |
6.352023380000001e-02 |
3.180000000000000e-09 |
-2.500000012561898e-09 |
PASS |
| Force 6 (x) |
-1.345621220000000e-02 |
-1.345622290000000e-02 |
1.180000000000000e-08 |
1.070000000234772e-08 |
PASS |
| Force 6 (y) |
6.291926210000000e-04 |
6.291869255000000e-04 |
6.270000000000000e-09 |
5.695500000010151e-09 |
PASS |
| Force 6 (z) |
4.477318040000000e-04 |
4.477361900000000e-04 |
4.820000000000000e-09 |
-4.385999999984274e-09 |
PASS |
| Force 7 (x) |
1.797431270000000e-02 |
1.797431300000000e-02 |
8.990000000000000e-10 |
-3.000000005359826e-10 |
PASS |
| Force 7 (y) |
-3.544037700000000e-02 |
-3.544037600000000e-02 |
1.770000000000000e-08 |
-9.999999994736442e-10 |
PASS |
| Force 7 (z) |
2.815435820000000e-02 |
2.815435250000000e-02 |
6.220000000000000e-09 |
5.699999996305882e-09 |
PASS |
| Force 8 (x) |
1.471855400000000e-02 |
1.471855800000000e-02 |
7.360000000000000e-09 |
-4.000000001364024e-09 |
PASS |
| Force 8 (y) |
-1.981850940000000e-02 |
-1.981851210000000e-02 |
2.970000000000000e-09 |
2.700000001354397e-09 |
PASS |
| Force 8 (z) |
-5.192426450000000e-02 |
-5.192426650000000e-02 |
2.200000000000000e-09 |
1.999999998947288e-09 |
PASS |