Input 11-silicon_force.03-nosym.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
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 |