Input 11-silicon_force.03-nosym.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-serial-full: [foss2023a-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 3.521402210000000e-01 3.521402600000000e-01 1.760000000000000e-07 -3.900000000722770e-08 PASS
Force NL -7.940092949999999e-02 -7.940089635000001e-02 3.650000000000000e-08 -3.314999998116352e-08 PASS
Force SCF -3.231482110000000e-09 2.813818490000000e-08 3.450000000000000e-08 -3.136966701000000e-08 PASS
Force NLCC 4.763313920000000e-03 4.763312530000000e-03 1.530000000000000e-09 1.389999999650005e-09 PASS
Force 1 (x) -7.970121630000000e-02 -7.970117030000001e-02 5.070000000000000e-08 -4.599999998966542e-08 PASS
Force 1 (y) -9.836803370000000e-02 -9.836803800000000e-02 4.920000000000000e-09 4.300000008838900e-09 PASS
Force 1 (z) -4.078777830000000e-02 -4.078778030000000e-02 2.250000000000000e-09 1.999999998947288e-09 PASS
Force 2 (x) 6.445261120000000e-03 6.445244820000000e-03 1.790000000000000e-08 1.629999999992054e-08 PASS
Force 2 (y) 3.848226230000000e-03 3.848238560000000e-03 1.360000000000000e-08 -1.233000000017137e-08 PASS
Force 2 (z) -1.012336030000000e-04 -1.012188860000000e-04 1.620000000000000e-08 -1.471699999999819e-08 PASS
Force 3 (x) 4.745188710000000e-03 4.745170085000000e-03 2.050000000000000e-08 1.862499999973760e-08 PASS
Force 3 (y) -3.097455460000000e-03 -3.097473345000000e-03 1.970000000000000e-08 1.788500000009241e-08 PASS
Force 3 (z) 2.981121290000000e-03 2.981119220000000e-03 2.280000000000000e-09 2.069999999968625e-09 PASS
Force 4 (x) -7.101478300000000e-03 -7.101440000000001e-03 3.550000000000000e-07 -3.829999999961642e-08 PASS
Force 4 (y) 5.100696270000000e-03 5.100705830000000e-03 1.050000000000000e-08 -9.559999999964042e-09 PASS
Force 4 (z) -2.290191100000000e-03 -2.290194900000000e-03 4.130000000000000e-09 3.799999999994780e-09 PASS
Force 5 (x) 5.637552990000000e-02 5.637551950000001e-02 1.140000000000000e-08 1.039999999313812e-08 PASS
Force 5 (y) 1.471462670000000e-01 1.471462550000000e-01 1.540000000000000e-08 1.199999999368373e-08 PASS
Force 5 (z) 6.352028849999999e-02 6.352025770000001e-02 3.390000000000000e-08 3.079999998101268e-08 PASS
Force 6 (x) -1.345619990000000e-02 -1.345620240000000e-02 5.670000000000000e-09 2.500000000418834e-09 PASS
Force 6 (y) 6.291752970000001e-04 6.291793385000001e-04 4.450000000000000e-09 -4.041500000005575e-09 PASS
Force 6 (z) 4.477390590000000e-04 4.477447450000000e-04 2.980000000000000e-08 -5.686000000048111e-09 PASS
Force 7 (x) 1.797434910000000e-02 1.797433675000000e-02 1.360000000000000e-08 1.234999999835673e-08 PASS
Force 7 (y) -3.544033020000000e-02 -3.544035195000000e-02 2.390000000000000e-08 2.174999999549065e-08 PASS
Force 7 (z) 2.815432130000000e-02 2.815433300000000e-02 1.290000000000000e-08 -1.170000000008664e-08 PASS
Force 8 (x) 1.471856570000000e-02 1.471855960000000e-02 6.710000000000000e-09 6.099999999911732e-09 PASS
Force 8 (y) -1.981854530000000e-02 -1.981852900000000e-02 1.790000000000000e-08 -1.629999999905318e-08 PASS
Force 8 (z) -5.192426720000000e-02 -5.192426080000000e-02 1.850000000000000e-08 -6.399999995243544e-09 PASS
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