Input 11-silicon_force.03-nosym.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_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 3.521402600000000e-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 -3.306067730000000e-10 -2.157065015000000e-10 1.260000000000000e-10 -1.149002715000000e-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
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