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 |
3.521401940000000e-01 |
3.521402600000000e-01 |
1.760000000000000e-07 |
-6.599999996526051e-08 |
PASS |
| Force NL |
-7.940086320000000e-02 |
-7.940089635000001e-02 |
3.650000000000000e-08 |
3.315000000891910e-08 |
PASS |
| Force SCF |
5.950785350000000e-08 |
2.813818490000000e-08 |
3.450000000000000e-08 |
3.136966859999999e-08 |
PASS |
| Force NLCC |
4.763311140000000e-03 |
4.763312530000000e-03 |
1.530000000000000e-09 |
-1.389999999650005e-09 |
PASS |
| Force 1 (x) |
-7.970112420000000e-02 |
-7.970117030000001e-02 |
5.070000000000000e-08 |
4.610000001181724e-08 |
PASS |
| Force 1 (y) |
-9.836804230000000e-02 |
-9.836803800000000e-02 |
4.920000000000000e-09 |
-4.299999994961112e-09 |
PASS |
| Force 1 (z) |
-4.078778240000000e-02 |
-4.078778030000000e-02 |
2.250000000000000e-09 |
-2.100000000282432e-09 |
PASS |
| Force 2 (x) |
6.445228520000000e-03 |
6.445244820000000e-03 |
1.790000000000000e-08 |
-1.629999999992054e-08 |
PASS |
| Force 2 (y) |
3.848250890000000e-03 |
3.848238560000000e-03 |
1.360000000000000e-08 |
1.232999999973769e-08 |
PASS |
| Force 2 (z) |
-1.012041700000000e-04 |
-1.012188860000000e-04 |
1.620000000000000e-08 |
1.471600000000218e-08 |
PASS |
| Force 3 (x) |
4.745151460000000e-03 |
4.745170085000000e-03 |
2.050000000000000e-08 |
-1.862499999973760e-08 |
PASS |
| Force 3 (y) |
-3.097491230000000e-03 |
-3.097473345000000e-03 |
1.970000000000000e-08 |
-1.788499999965873e-08 |
PASS |
| Force 3 (z) |
2.981117140000000e-03 |
2.981119220000000e-03 |
2.280000000000000e-09 |
-2.079999999928667e-09 |
PASS |
| Force 4 (x) |
-7.101436310000000e-03 |
-7.101440000000001e-03 |
3.550000000000000e-07 |
3.690000000867999e-09 |
PASS |
| Force 4 (y) |
5.100715390000000e-03 |
5.100705830000000e-03 |
1.050000000000000e-08 |
9.559999999964042e-09 |
PASS |
| Force 4 (z) |
-2.290198610000000e-03 |
-2.290194900000000e-03 |
4.130000000000000e-09 |
-3.709999999920721e-09 |
PASS |
| Force 5 (x) |
5.637550910000000e-02 |
5.637551950000001e-02 |
1.140000000000000e-08 |
-1.040000000701591e-08 |
PASS |
| Force 5 (y) |
1.471462700000000e-01 |
1.471462550000000e-01 |
1.540000000000000e-08 |
1.499999999210466e-08 |
PASS |
| Force 5 (z) |
6.352022690000000e-02 |
6.352025770000001e-02 |
3.390000000000000e-08 |
-3.080000000876826e-08 |
PASS |
| Force 6 (x) |
-1.345620640000000e-02 |
-1.345620240000000e-02 |
5.670000000000000e-09 |
-3.999999999629300e-09 |
PASS |
| Force 6 (y) |
6.291833800000000e-04 |
6.291793385000001e-04 |
4.450000000000000e-09 |
4.041499999897155e-09 |
PASS |
| Force 6 (z) |
4.477421760000000e-04 |
4.477447450000000e-04 |
2.980000000000000e-08 |
-2.569000000034703e-09 |
PASS |
| Force 7 (x) |
1.797432440000000e-02 |
1.797433675000000e-02 |
1.360000000000000e-08 |
-1.234999999835673e-08 |
PASS |
| Force 7 (y) |
-3.544037370000000e-02 |
-3.544035195000000e-02 |
2.390000000000000e-08 |
-2.175000000242955e-08 |
PASS |
| Force 7 (z) |
2.815434470000000e-02 |
2.815433300000000e-02 |
1.290000000000000e-08 |
1.170000000008664e-08 |
PASS |
| Force 8 (x) |
1.471855350000000e-02 |
1.471855960000000e-02 |
6.710000000000000e-09 |
-6.099999999911732e-09 |
PASS |
| Force 8 (y) |
-1.981851280000000e-02 |
-1.981852900000000e-02 |
1.790000000000000e-08 |
1.620000000118749e-08 |
PASS |
| Force 8 (z) |
-5.192424580000000e-02 |
-5.192426080000000e-02 |
1.850000000000000e-08 |
1.500000000598245e-08 |
PASS |