Input 11-silicon_force.03-nosym.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run intel_omp_autotools: [intel2022a-serial]

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 -1.060670870000000e-09 -5.960999440000001e-10 5.110000000000000e-10 -4.645709259999999e-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) -4.078776030000000e-02 -4.078776340000000e-02 3.410000000000000e-09 3.099999999756076e-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) 6.291788070000000e-04 6.291771450000000e-04 1.830000000000000e-09 1.661999999972609e-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
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