Input 11-silicon_force.03-nosym.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_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 | 3.521402600000000e-01 | 3.521402600000000e-01 | 1.760000000000000e-07 | 0.000000000000000e+00 | PASS |
| Force NL | -7.940088280000000e-02 | -7.940087380000001e-02 | 9.950000000000000e-09 | -8.999999995262797e-09 | PASS |
| Force SCF | -3.306066950000000e-10 | -2.157065015000000e-10 | 1.260000000000000e-10 | -1.149001935000000e-10 | PASS |
| Force NLCC | 4.763312240000000e-03 | 4.763311910000000e-03 | 3.630000000000000e-10 | 3.300000004161086e-10 | PASS |
| Force 1 (x) | -7.970113580000000e-02 | -7.970112780000001e-02 | 8.850000000000000e-09 | -7.999999995789153e-09 | PASS |
| Force 1 (y) | -9.836803030000001e-02 | -9.836802860000000e-02 | 4.920000000000000e-09 | -1.700000001880753e-09 | PASS |
| Force 1 (z) | -4.078780220000000e-02 | -4.078779960000001e-02 | 2.800000000000000e-09 | -2.599999993080360e-09 | PASS |
| Force 2 (x) | 6.445244250000000e-03 | 6.445241280000001e-03 | 3.270000000000000e-09 | 2.969999999408168e-09 | PASS |
| Force 2 (y) | 3.848223670000000e-03 | 3.848227020000000e-03 | 3.690000000000000e-09 | -3.350000000491848e-09 | PASS |
| Force 2 (z) | -1.012237410000000e-04 | -1.012183415000000e-04 | 5.940000000000000e-09 | -5.399499999986733e-09 | PASS |
| Force 3 (x) | 4.745162700000000e-03 | 4.745162075000000e-03 | 6.870000000000000e-10 | 6.249999996710276e-10 | PASS |
| Force 3 (y) | -3.097471450000000e-03 | -3.097475770000000e-03 | 4.750000000000000e-09 | 4.320000000085367e-09 | PASS |
| Force 3 (z) | 2.981152530000000e-03 | 2.981146940000000e-03 | 6.150000000000000e-09 | 5.589999999781187e-09 | PASS |
| Force 4 (x) | -7.101430000000000e-03 | -7.101440000000001e-03 | 3.550000000000000e-07 | 1.000000000080797e-08 | PASS |
| Force 4 (y) | 5.100699060000000e-03 | 5.100696780000000e-03 | 2.510000000000000e-09 | 2.279999999563187e-09 | PASS |
| Force 4 (z) | -2.290183280000000e-03 | -2.290185000000000e-03 | 1.890000000000000e-09 | 1.720000000066113e-09 | PASS |
| Force 5 (x) | 5.637550440000000e-02 | 5.637551220000001e-02 | 8.580000000000000e-09 | -7.800000006996655e-09 | PASS |
| Force 5 (y) | 1.471462730000000e-01 | 1.471462820000000e-01 | 9.899999999999999e-09 | -8.999999995262797e-09 | PASS |
| Force 5 (z) | 6.352023129999999e-02 | 6.352023380000001e-02 | 3.180000000000000e-09 | -2.500000012561898e-09 | PASS |
| Force 6 (x) | -1.345621220000000e-02 | -1.345622290000000e-02 | 1.180000000000000e-08 | 1.070000000234772e-08 | PASS |
| Force 6 (y) | 6.291926210000000e-04 | 6.291869255000000e-04 | 6.270000000000000e-09 | 5.695500000010151e-09 | PASS |
| Force 6 (z) | 4.477318040000000e-04 | 4.477361900000000e-04 | 4.820000000000000e-09 | -4.385999999984274e-09 | PASS |
| Force 7 (x) | 1.797431270000000e-02 | 1.797431300000000e-02 | 8.990000000000000e-10 | -3.000000005359826e-10 | PASS |
| Force 7 (y) | -3.544037700000000e-02 | -3.544037600000000e-02 | 1.770000000000000e-08 | -9.999999994736442e-10 | PASS |
| Force 7 (z) | 2.815435820000000e-02 | 2.815435250000000e-02 | 6.220000000000000e-09 | 5.699999996305882e-09 | PASS |
| Force 8 (x) | 1.471855400000000e-02 | 1.471855800000000e-02 | 7.360000000000000e-09 | -4.000000001364024e-09 | PASS |
| Force 8 (y) | -1.981850940000000e-02 | -1.981851210000000e-02 | 2.970000000000000e-09 | 2.700000001354397e-09 | PASS |
| Force 8 (z) | -5.192426450000000e-02 | -5.192426650000000e-02 | 2.200000000000000e-09 | 1.999999998947288e-09 | PASS |