Input 10-bomd.02-td.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > 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] -1.058158908445420e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217504319583895e-09 PASS
Energy [step 3] -1.058145774227825e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509889185375869e-09 PASS
Energy [step 4] -1.058134610389477e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.518769441437144e-09 PASS
Forces [step 1] -1.538478572155723e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994412677201e-07 PASS
Forces [step 2] -1.732216535539041e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557393118586610e-08 PASS
Forces [step 3] -1.918267217555277e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697878647150986e-07 PASS
Forces [step 4] -2.092292077123040e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.248638803741375e-07 PASS
Compare to other inputs