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 |
3.521402210000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
-3.900000000722770e-08 |
PASS |
| Force NL |
-7.940092949999999e-02 |
-7.940089635000001e-02 |
3.650000000000000e-08 |
-3.314999998116352e-08 |
PASS |
| Force SCF |
-3.231481130000000e-09 |
2.813818490000000e-08 |
3.450000000000000e-08 |
-3.136966603000000e-08 |
PASS |
| Force NLCC |
4.763313920000000e-03 |
4.763312530000000e-03 |
1.530000000000000e-09 |
1.389999999650005e-09 |
PASS |
| Force 1 (x) |
-7.970121630000000e-02 |
-7.970117030000001e-02 |
5.070000000000000e-08 |
-4.599999998966542e-08 |
PASS |
| Force 1 (y) |
-9.836803370000000e-02 |
-9.836803800000000e-02 |
4.920000000000000e-09 |
4.300000008838900e-09 |
PASS |
| Force 1 (z) |
-4.078777830000000e-02 |
-4.078778030000000e-02 |
2.250000000000000e-09 |
1.999999998947288e-09 |
PASS |
| Force 2 (x) |
6.445261120000000e-03 |
6.445244820000000e-03 |
1.790000000000000e-08 |
1.629999999992054e-08 |
PASS |
| Force 2 (y) |
3.848226230000000e-03 |
3.848238560000000e-03 |
1.360000000000000e-08 |
-1.233000000017137e-08 |
PASS |
| Force 2 (z) |
-1.012336030000000e-04 |
-1.012188860000000e-04 |
1.620000000000000e-08 |
-1.471699999999819e-08 |
PASS |
| Force 3 (x) |
4.745188710000000e-03 |
4.745170085000000e-03 |
2.050000000000000e-08 |
1.862499999973760e-08 |
PASS |
| Force 3 (y) |
-3.097455460000000e-03 |
-3.097473345000000e-03 |
1.970000000000000e-08 |
1.788500000009241e-08 |
PASS |
| Force 3 (z) |
2.981121290000000e-03 |
2.981119220000000e-03 |
2.280000000000000e-09 |
2.069999999968625e-09 |
PASS |
| Force 4 (x) |
-7.101478300000000e-03 |
-7.101440000000001e-03 |
3.550000000000000e-07 |
-3.829999999961642e-08 |
PASS |
| Force 4 (y) |
5.100696270000000e-03 |
5.100705830000000e-03 |
1.050000000000000e-08 |
-9.559999999964042e-09 |
PASS |
| Force 4 (z) |
-2.290191100000000e-03 |
-2.290194900000000e-03 |
4.130000000000000e-09 |
3.799999999994780e-09 |
PASS |
| Force 5 (x) |
5.637552990000000e-02 |
5.637551950000001e-02 |
1.140000000000000e-08 |
1.039999999313812e-08 |
PASS |
| Force 5 (y) |
1.471462670000000e-01 |
1.471462550000000e-01 |
1.540000000000000e-08 |
1.199999999368373e-08 |
PASS |
| Force 5 (z) |
6.352028849999999e-02 |
6.352025770000001e-02 |
3.390000000000000e-08 |
3.079999998101268e-08 |
PASS |
| Force 6 (x) |
-1.345619990000000e-02 |
-1.345620240000000e-02 |
5.670000000000000e-09 |
2.500000000418834e-09 |
PASS |
| Force 6 (y) |
6.291752970000001e-04 |
6.291793385000001e-04 |
4.450000000000000e-09 |
-4.041500000005575e-09 |
PASS |
| Force 6 (z) |
4.477390590000000e-04 |
4.477447450000000e-04 |
2.980000000000000e-08 |
-5.686000000048111e-09 |
PASS |
| Force 7 (x) |
1.797434910000000e-02 |
1.797433675000000e-02 |
1.360000000000000e-08 |
1.234999999835673e-08 |
PASS |
| Force 7 (y) |
-3.544033020000000e-02 |
-3.544035195000000e-02 |
2.390000000000000e-08 |
2.174999999549065e-08 |
PASS |
| Force 7 (z) |
2.815432130000000e-02 |
2.815433300000000e-02 |
1.290000000000000e-08 |
-1.170000000008664e-08 |
PASS |
| Force 8 (x) |
1.471856570000000e-02 |
1.471855960000000e-02 |
6.710000000000000e-09 |
6.099999999911732e-09 |
PASS |
| Force 8 (y) |
-1.981854530000000e-02 |
-1.981852900000000e-02 |
1.790000000000000e-08 |
-1.629999999905318e-08 |
PASS |
| Force 8 (z) |
-5.192426720000000e-02 |
-5.192426080000000e-02 |
1.850000000000000e-08 |
-6.399999995243544e-09 |
PASS |