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 |
2.830854240000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
-6.905483600000001e-02 |
FAIL |
| Force NL |
-7.951201280000000e-02 |
-7.940087380000001e-02 |
9.950000000000000e-09 |
-1.111389999999962e-04 |
FAIL |
| Force SCF |
-1.008067280000000e-10 |
-2.157065015000000e-10 |
1.260000000000000e-10 |
1.148997735000000e-10 |
PASS |
| Force NLCC |
4.763311580000000e-03 |
4.763311910000000e-03 |
3.630000000000000e-10 |
-3.299999995487468e-10 |
PASS |
| Force 1 (x) |
-1.415146840000000e-01 |
-7.970112780000001e-02 |
8.850000000000000e-09 |
-6.181355619999999e-02 |
FAIL |
| Force 1 (y) |
-9.836802700000000e-02 |
-9.836802860000000e-02 |
4.920000000000000e-09 |
1.600000007484503e-09 |
PASS |
| Force 1 (z) |
-4.078779710000000e-02 |
-4.078779960000001e-02 |
2.800000000000000e-09 |
2.500000005623004e-09 |
PASS |
| Force 2 (x) |
2.021896590000000e-02 |
6.445241280000001e-03 |
3.270000000000000e-09 |
1.377372462000000e-02 |
FAIL |
| Force 2 (y) |
3.848230380000000e-03 |
3.848227020000000e-03 |
3.690000000000000e-09 |
3.359999999584529e-09 |
PASS |
| Force 2 (z) |
-1.012129420000000e-04 |
-1.012183415000000e-04 |
5.940000000000000e-09 |
5.399500000013839e-09 |
PASS |
| Force 3 (x) |
1.863610380000000e-02 |
4.745162075000000e-03 |
6.870000000000000e-10 |
1.389094172500000e-02 |
FAIL |
| Force 3 (y) |
-3.097480090000000e-03 |
-3.097475770000000e-03 |
4.750000000000000e-09 |
-4.320000000085367e-09 |
PASS |
| Force 3 (z) |
2.981141350000000e-03 |
2.981146940000000e-03 |
6.150000000000000e-09 |
-5.590000000214868e-09 |
PASS |
| Force 4 (x) |
3.714362950000000e-04 |
-7.101440000000001e-03 |
3.550000000000000e-07 |
7.472876295000001e-03 |
FAIL |
| Force 4 (y) |
5.100694500000000e-03 |
5.100696780000000e-03 |
2.510000000000000e-09 |
-2.280000000430549e-09 |
PASS |
| Force 4 (z) |
-2.290186720000000e-03 |
-2.290185000000000e-03 |
1.890000000000000e-09 |
-1.720000000066113e-09 |
PASS |
| Force 5 (x) |
-1.046957510000000e-01 |
5.637551220000001e-02 |
8.580000000000000e-09 |
-1.610712632000000e-01 |
FAIL |
| Force 5 (y) |
1.471462910000000e-01 |
1.471462820000000e-01 |
9.899999999999999e-09 |
9.000000023018373e-09 |
PASS |
| Force 5 (z) |
6.352023640000000e-02 |
6.352023380000001e-02 |
3.180000000000000e-09 |
2.599999993080360e-09 |
PASS |
| Force 6 (x) |
1.658045450000000e-01 |
-1.345622290000000e-02 |
1.180000000000000e-08 |
1.792607679000000e-01 |
FAIL |
| Force 6 (y) |
6.291812300000000e-04 |
6.291869255000000e-04 |
6.270000000000000e-09 |
-5.695500000010151e-09 |
PASS |
| Force 6 (z) |
4.477405750000000e-04 |
4.477361900000000e-04 |
4.820000000000000e-09 |
4.384999999988270e-09 |
PASS |
| Force 7 (x) |
1.877521000000000e-01 |
1.797431300000000e-02 |
8.990000000000000e-10 |
1.697777870000000e-01 |
FAIL |
| Force 7 (y) |
-3.544037510000000e-02 |
-3.544037600000000e-02 |
1.770000000000000e-08 |
9.000000050773949e-10 |
PASS |
| Force 7 (z) |
2.815434690000000e-02 |
2.815435250000000e-02 |
6.220000000000000e-09 |
-5.600000005379080e-09 |
PASS |
| Force 8 (x) |
-1.465727160000000e-01 |
1.471855800000000e-02 |
7.360000000000000e-09 |
-1.612912740000000e-01 |
FAIL |
| Force 8 (y) |
-1.981851480000000e-02 |
-1.981851210000000e-02 |
2.970000000000000e-09 |
-2.699999997884950e-09 |
PASS |
| Force 8 (z) |
-5.192426850000000e-02 |
-5.192426650000000e-02 |
2.200000000000000e-09 |
-2.000000005886182e-09 |
PASS |