Input 16-bomd.02-td.inp

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run foss_cmake: [foss2022a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828876e+01 -1.058173966727793e+01 1.110000000000000e-09 -1.010832306747034e-09 PASS
Energy [step 2] -1.058158908445418e+01 -1.058158908323673e+01 1.340000000000000e-09 -1.217454581592392e-09 PASS
Energy [step 3] -1.058145774227813e+01 -1.058145773976834e+01 2.760000000000000e-09 -2.509786156679183e-09 PASS
Energy [step 4] -1.058134610395546e+01 -1.058134609837270e+01 6.140000000000000e-09 -5.582762696576538e-09 PASS
Forces [step 1] -1.538478572155723e-01 -1.538477490161332e-01 1.190000000000000e-07 -1.081994390472740e-07 PASS
Forces [step 2] -1.732216535538509e-01 -1.732217491278016e-01 1.050000000000000e-07 9.557395075354691e-08 PASS
Forces [step 3] -1.918267217391603e-01 -1.918264519326440e-01 2.970000000000000e-07 -2.698065163231345e-07 PASS
Forces [step 4] -2.092292167285799e-01 -2.092290824096458e-01 1.470000000000000e-07 -1.343189341418416e-07 PASS
Compare to other inputs