Input 11-silicon_force.03-nosym.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_opt_autotools: [foss2023a-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 | 3.521402850000000e-01 | 3.521402600000000e-01 | 1.760000000000000e-07 | 2.500000001459668e-08 | PASS |
| Force NL | -7.940096070000000e-02 | -7.940098980000000e-02 | 3.200000000000000e-08 | 2.910000000688751e-08 | PASS |
| Force SCF | -1.060671720000000e-09 | -5.960999440000001e-10 | 5.110000000000000e-10 | -4.645717760000000e-10 | PASS |
| Force NLCC | 4.763316150000000e-03 | 4.763317570000001e-03 | 1.560000000000000e-09 | -1.420000000397492e-09 | PASS |
| Force 1 (x) | -7.970118160000000e-02 | -7.970117590000000e-02 | 6.270000000000000e-09 | -5.699999999775329e-09 | PASS |
| Force 1 (y) | -9.836805490000000e-02 | -9.836805310000001e-02 | 4.920000000000000e-09 | -1.799999996277002e-09 | PASS |
| Force 1 (z) | -4.078776020000000e-02 | -4.078776340000000e-02 | 3.410000000000000e-09 | 3.200000001091219e-09 | PASS |
| Force 2 (x) | 6.445242130000000e-03 | 6.445254650000000e-03 | 1.380000000000000e-08 | -1.252000000027953e-08 | PASS |
| Force 2 (y) | 3.848243380000000e-03 | 3.848248040000000e-03 | 5.130000000000000e-09 | -4.660000000027836e-09 | PASS |
| Force 2 (z) | -1.012109240000000e-04 | -1.012120340000000e-04 | 1.220000000000000e-09 | 1.110000000009888e-09 | PASS |
| Force 3 (x) | 4.745157880000000e-03 | 4.745180319999999e-03 | 2.470000000000000e-08 | -2.243999999967244e-08 | PASS |
| Force 3 (y) | -3.097468960000000e-03 | -3.097480900000000e-03 | 1.310000000000000e-08 | 1.193999999999501e-08 | PASS |
| Force 3 (z) | 2.981116120000000e-03 | 2.981107500000000e-03 | 9.480000000000000e-09 | 8.620000000250649e-09 | PASS |
| Force 4 (x) | -7.101407850000000e-03 | -7.101440000000001e-03 | 3.550000000000000e-07 | 3.215000000077184e-08 | PASS |
| Force 4 (y) | 5.100712050000000e-03 | 5.100729830000000e-03 | 1.960000000000000e-08 | -1.778000000007829e-08 | PASS |
| Force 4 (z) | -2.290196350000000e-03 | -2.290206100000000e-03 | 1.070000000000000e-08 | 9.750000000505882e-09 | PASS |
| Force 5 (x) | 5.637550980000000e-02 | 5.637551670000000e-02 | 7.590000000000000e-09 | -6.899999994980366e-09 | PASS |
| Force 5 (y) | 1.471462690000000e-01 | 1.471462550000000e-01 | 1.540000000000000e-08 | 1.399999999263102e-08 | PASS |
| Force 5 (z) | 6.352028970000000e-02 | 6.352027280000000e-02 | 1.860000000000000e-08 | 1.689999999665570e-08 | PASS |
| Force 6 (x) | -1.345619730000000e-02 | -1.345620240000000e-02 | 5.670000000000000e-09 | 5.100000000438087e-09 | PASS |
| Force 6 (y) | 6.291788060000000e-04 | 6.291771450000000e-04 | 1.830000000000000e-09 | 1.660999999976605e-09 | PASS |
| Force 6 (z) | 4.477176320000000e-04 | 4.477447450000000e-04 | 2.980000000000000e-08 | -2.711300000002781e-08 | PASS |
| Force 7 (x) | 1.797434050000000e-02 | 1.797432180000000e-02 | 2.060000000000000e-08 | 1.869999999987160e-08 | PASS |
| Force 7 (y) | -3.544033300000000e-02 | -3.544033750000000e-02 | 4.950000000000000e-09 | 4.500000004570293e-09 | PASS |
| Force 7 (z) | 2.815432170000000e-02 | 2.815431725000000e-02 | 4.890000000000000e-09 | 4.449999996963827e-09 | PASS |
| Force 8 (x) | 1.471853640000000e-02 | 1.471854975000000e-02 | 1.470000000000000e-08 | -1.335000000303455e-08 | PASS |
| Force 8 (y) | -1.981854640000000e-02 | -1.981853850000000e-02 | 8.690000000000000e-09 | -7.900000001392904e-09 | PASS |
| Force 8 (z) | -5.192427760000000e-02 | -5.192426080000000e-02 | 1.850000000000000e-08 | -1.679999999532056e-08 | PASS |