Input 11-silicon_force.02-nlcc.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.270000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Force 1 (x) |
-7.970110770000000e-02 |
-7.970112800000001e-02 |
2.240000000000000e-08 |
2.030000001429499e-08 |
PASS |
| Force 1 (y) |
-9.836805429999999e-02 |
-9.836805200000000e-02 |
4.920000000000000e-08 |
-2.299999996013824e-09 |
PASS |
| Force 1 (z) |
-4.078776920000000e-02 |
-4.078776500000000e-02 |
2.040000000000000e-08 |
-4.199999993625969e-09 |
PASS |
| Force 2 (x) |
6.445206750000000e-03 |
6.445215770000000e-03 |
9.920000000000000e-09 |
-9.020000000387052e-09 |
PASS |
| Force 2 (y) |
3.848277350000000e-03 |
3.848264020000000e-03 |
1.470000000000000e-08 |
1.333000000007870e-08 |
PASS |
| Force 2 (z) |
-1.011985890000000e-04 |
-1.012059370000000e-04 |
8.080000000000000e-09 |
7.348000000007167e-09 |
PASS |
| Force 3 (x) |
4.745129410000000e-03 |
4.745142940000001e-03 |
1.490000000000000e-08 |
-1.353000000058058e-08 |
PASS |
| Force 3 (y) |
-3.097501210000000e-03 |
-3.097500090000000e-03 |
1.230000000000000e-09 |
-1.119999999861510e-09 |
PASS |
| Force 3 (z) |
2.981082140000000e-03 |
2.981106335000000e-03 |
2.660000000000000e-08 |
-2.419500000046607e-08 |
PASS |
| Force 4 (x) |
-7.101422990000000e-03 |
-7.101443300000000e-03 |
4.200000000000000e-08 |
2.031000000037725e-08 |
PASS |
| Force 4 (y) |
5.100737890000000e-03 |
5.100730310000000e-03 |
1.820000000000000e-08 |
7.580000000069476e-09 |
PASS |
| Force 4 (z) |
-2.290213350000000e-03 |
-2.290200000000000e-03 |
1.150000000000000e-06 |
-1.334999999999878e-08 |
PASS |
| Force 5 (x) |
5.637549620000000e-02 |
5.637549530000000e-02 |
2.820000000000000e-09 |
8.999999981385010e-10 |
PASS |
| Force 5 (y) |
1.471462280000000e-01 |
1.471462400000000e-01 |
7.360000000000000e-08 |
-1.200000002143931e-08 |
PASS |
| Force 5 (z) |
6.352022060000000e-02 |
6.352023430000001e-02 |
1.510000000000000e-08 |
-1.370000000944227e-08 |
PASS |
| Force 6 (x) |
-1.345618110000000e-02 |
-1.345618610000000e-02 |
5.500000000000000e-09 |
5.000000000837668e-09 |
PASS |
| Force 6 (y) |
6.291950890000000e-04 |
6.291807170000000e-04 |
1.580000000000000e-08 |
1.437200000003504e-08 |
PASS |
| Force 6 (z) |
4.477315480000000e-04 |
4.477457060000000e-04 |
2.850000000000000e-08 |
-1.415800000002278e-08 |
PASS |
| Force 7 (x) |
1.797434680000000e-02 |
1.797434015000000e-02 |
7.320000000000000e-09 |
6.649999998581402e-09 |
PASS |
| Force 7 (y) |
-3.544036610000000e-02 |
-3.544034970000001e-02 |
1.800000000000000e-08 |
-1.639999999691888e-08 |
PASS |
| Force 7 (z) |
2.815435060000000e-02 |
2.815434270000000e-02 |
8.690000000000000e-09 |
7.899999997923457e-09 |
PASS |
| Force 8 (x) |
1.471853260000000e-02 |
1.471854020000000e-02 |
8.410000000000001e-09 |
-7.599999999122198e-09 |
PASS |
| Force 8 (y) |
-1.981851650000000e-02 |
-1.981852100000000e-02 |
9.910000000000001e-09 |
4.500000001100846e-09 |
PASS |
| Force 8 (z) |
-5.192420370000000e-02 |
-5.192422540000000e-02 |
2.390000000000000e-08 |
2.170000000523142e-08 |
PASS |
| Force Ion-ion |
-3.572645120000000e-01 |
-3.572645120000000e-01 |
1.790000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force Local |
3.521402760000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
1.599999999157831e-08 |
PASS |
| Force NL |
-7.940092280000000e-02 |
-7.940093320000001e-02 |
1.140000000000000e-08 |
1.040000001395480e-08 |
PASS |
| Force SCF |
5.090110910000000e-08 |
2.552133750000000e-08 |
2.790000000000000e-08 |
2.537977160000000e-08 |
PASS |
| Force NLCC |
4.763314820000000e-03 |
4.763315150000000e-03 |
3.690000000000000e-10 |
-3.300000004161086e-10 |
PASS |