Input 10-bomd.02-td.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-omp-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828877e+01 -1.058173966727794e+01 1.110000000000000e-09 -1.010830530390194e-09 PASS
Energy [step 2] -1.058158908445421e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217509648654413e-09 PASS
Energy [step 3] -1.058145774227832e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509958463292605e-09 PASS
Energy [step 4] -1.058134610389356e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.517561518786351e-09 PASS
Forces [step 1] -1.538478572155722e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994412399645e-07 PASS
Forces [step 2] -1.732216535539323e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557390301395685e-08 PASS
Forces [step 3] -1.918267217643808e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697967177722749e-07 PASS
Forces [step 4] -2.092292076572907e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.248088671024217e-07 PASS
Compare to other inputs