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) |
-7.970114840000000e-02 |
-7.970112800000001e-02 |
2.240000000000000e-08 |
-2.039999999481346e-08 |
PASS |
| Force 1 (y) |
-9.836805470000000e-02 |
-9.836805200000000e-02 |
4.920000000000000e-08 |
-2.700000001354397e-09 |
PASS |
| Force 1 (z) |
-4.078777390000000e-02 |
-4.078776500000000e-02 |
2.040000000000000e-08 |
-8.899999993927654e-09 |
PASS |
| Force 2 (x) |
6.445224790000000e-03 |
6.445215770000000e-03 |
9.920000000000000e-09 |
9.019999999519690e-09 |
PASS |
| Force 2 (y) |
3.848250680000000e-03 |
3.848264020000000e-03 |
1.470000000000000e-08 |
-1.334000000003874e-08 |
PASS |
| Force 2 (z) |
-1.012132850000000e-04 |
-1.012059370000000e-04 |
8.080000000000000e-09 |
-7.347999999993615e-09 |
PASS |
| Force 3 (x) |
4.745156460000000e-03 |
4.745142940000001e-03 |
1.490000000000000e-08 |
1.351999999975317e-08 |
PASS |
| Force 3 (y) |
-3.097498970000000e-03 |
-3.097500090000000e-03 |
1.230000000000000e-09 |
1.119999999861510e-09 |
PASS |
| Force 3 (z) |
2.981130530000000e-03 |
2.981106335000000e-03 |
2.660000000000000e-08 |
2.419499999959870e-08 |
PASS |
| Force 4 (x) |
-7.101417550000000e-03 |
-7.101443300000000e-03 |
4.200000000000000e-08 |
2.575000000032412e-08 |
PASS |
| Force 4 (y) |
5.100735080000000e-03 |
5.100730310000000e-03 |
1.820000000000000e-08 |
4.770000000021979e-09 |
PASS |
| Force 4 (z) |
-2.290212420000000e-03 |
-2.290200000000000e-03 |
1.150000000000000e-06 |
-1.241999999981175e-08 |
PASS |
| Force 5 (x) |
5.637549450000000e-02 |
5.637549530000000e-02 |
2.820000000000000e-09 |
-8.000000037422517e-10 |
PASS |
| Force 5 (y) |
1.471462600000000e-01 |
1.471462400000000e-01 |
7.360000000000000e-08 |
1.999999998947288e-08 |
PASS |
| Force 5 (z) |
6.352024810000000e-02 |
6.352023430000001e-02 |
1.510000000000000e-08 |
1.379999998996073e-08 |
PASS |
| Force 6 (x) |
-1.345619110000000e-02 |
-1.345618610000000e-02 |
5.500000000000000e-09 |
-4.999999999102944e-09 |
PASS |
| Force 6 (y) |
6.291663450000000e-04 |
6.291807170000000e-04 |
1.580000000000000e-08 |
-1.437199999992662e-08 |
PASS |
| Force 6 (z) |
4.477332370000000e-04 |
4.477457060000000e-04 |
2.850000000000000e-08 |
-1.246900000004963e-08 |
PASS |
| Force 7 (x) |
1.797433350000000e-02 |
1.797434015000000e-02 |
7.320000000000000e-09 |
-6.650000002050849e-09 |
PASS |
| Force 7 (y) |
-3.544033330000000e-02 |
-3.544034970000001e-02 |
1.800000000000000e-08 |
1.640000000385777e-08 |
PASS |
| Force 7 (z) |
2.815433480000000e-02 |
2.815434270000000e-02 |
8.690000000000000e-09 |
-7.900000001392904e-09 |
PASS |
| Force 8 (x) |
1.471854790000000e-02 |
1.471854020000000e-02 |
8.410000000000001e-09 |
7.700000000457341e-09 |
PASS |
| Force 8 (y) |
-1.981852500000000e-02 |
-1.981852100000000e-02 |
9.910000000000001e-09 |
-3.999999997894577e-09 |
PASS |
| Force 8 (z) |
-5.192424710000000e-02 |
-5.192422540000000e-02 |
2.390000000000000e-08 |
-2.169999999829253e-08 |
PASS |
| Force Ion-ion |
-3.572645120000000e-01 |
-3.572645120000000e-01 |
1.790000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force Local |
3.521403000000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
4.000000003445692e-08 |
PASS |
| Force NL |
-7.940094360000000e-02 |
-7.940093320000001e-02 |
1.140000000000000e-08 |
-1.039999998619923e-08 |
PASS |
| Force SCF |
1.415658280000000e-10 |
2.552133750000000e-08 |
2.790000000000000e-08 |
-2.537977167200000e-08 |
PASS |
| Force NLCC |
4.763315490000000e-03 |
4.763315150000000e-03 |
3.690000000000000e-10 |
3.400000003761505e-10 |
PASS |