Input 11-silicon_force.03-nosym.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_mpi_omp

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 -7.940086470000000e-02 -7.940087380000001e-02 9.950000000000000e-09 9.100000003536834e-09 PASS
Force SCF -1.008061710000000e-10 -2.157065015000000e-10 1.260000000000000e-10 1.149003305000000e-10 PASS
Force NLCC 4.763311580000000e-03 4.763311910000000e-03 3.630000000000000e-10 -3.299999995487468e-10 PASS
Force 1 (x) -7.970111970000000e-02 -7.970112780000001e-02 8.850000000000000e-09 8.100000004063190e-09 PASS
Force 1 (y) -9.836802700000000e-02 -9.836802860000000e-02 4.920000000000000e-09 1.600000007484503e-09 PASS
Force 1 (z) -4.078779710000000e-02 -4.078779960000001e-02 2.800000000000000e-09 2.500000005623004e-09 PASS
Force 2 (x) 6.445238300000000e-03 6.445241280000001e-03 3.270000000000000e-09 -2.980000000235572e-09 PASS
Force 2 (y) 3.848230380000000e-03 3.848227020000000e-03 3.690000000000000e-09 3.359999999584529e-09 PASS
Force 2 (z) -1.012129420000000e-04 -1.012183415000000e-04 5.940000000000000e-09 5.399500000013839e-09 PASS
Force 3 (x) 4.745161450000000e-03 4.745162075000000e-03 6.870000000000000e-10 -6.249999996710276e-10 PASS
Force 3 (y) -3.097480090000000e-03 -3.097475770000000e-03 4.750000000000000e-09 -4.320000000085367e-09 PASS
Force 3 (z) 2.981141350000000e-03 2.981146940000000e-03 6.150000000000000e-09 -5.590000000214868e-09 PASS
Force 4 (x) -7.101441140000000e-03 -7.101440000000001e-03 3.550000000000000e-07 -1.139999999781593e-09 PASS
Force 4 (y) 5.100694500000000e-03 5.100696780000000e-03 2.510000000000000e-09 -2.280000000430549e-09 PASS
Force 4 (z) -2.290186720000000e-03 -2.290185000000000e-03 1.890000000000000e-09 -1.720000000066113e-09 PASS
Force 5 (x) 5.637552000000000e-02 5.637551220000001e-02 8.580000000000000e-09 7.799999993118867e-09 PASS
Force 5 (y) 1.471462910000000e-01 1.471462820000000e-01 9.899999999999999e-09 9.000000023018373e-09 PASS
Force 5 (z) 6.352023640000000e-02 6.352023380000001e-02 3.180000000000000e-09 2.599999993080360e-09 PASS
Force 6 (x) -1.345623360000000e-02 -1.345622290000000e-02 1.180000000000000e-08 -1.069999999887827e-08 PASS
Force 6 (y) 6.291812300000000e-04 6.291869255000000e-04 6.270000000000000e-09 -5.695500000010151e-09 PASS
Force 6 (z) 4.477405750000000e-04 4.477361900000000e-04 4.820000000000000e-09 4.384999999988270e-09 PASS
Force 7 (x) 1.797431320000000e-02 1.797431300000000e-02 8.990000000000000e-10 1.999999992008394e-10 PASS
Force 7 (y) -3.544037510000000e-02 -3.544037600000000e-02 1.770000000000000e-08 9.000000050773949e-10 PASS
Force 7 (z) 2.815434690000000e-02 2.815435250000000e-02 6.220000000000000e-09 -5.600000005379080e-09 PASS
Force 8 (x) 1.471856160000000e-02 1.471855800000000e-02 7.360000000000000e-09 3.599999997758174e-09 PASS
Force 8 (y) -1.981851480000000e-02 -1.981851210000000e-02 2.970000000000000e-09 -2.699999997884950e-09 PASS
Force 8 (z) -5.192426850000000e-02 -5.192426650000000e-02 2.200000000000000e-09 -2.000000005886182e-09 PASS
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