Input 11-silicon_force.03-nosym.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run intel_mpi_autotools: [intel2023a-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 | 3.521402210000000e-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 | -3.231484420000000e-09 | 2.813818490000000e-08 | 3.450000000000000e-08 | -3.136966932000000e-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 |