Input 16-bomd.02-td.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss-cmake-zen4: [foss2023a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828875e+01 -1.058173966727793e+01 1.110000000000000e-09 -1.010823424962837e-09 PASS
Energy [step 2] -1.058158908445419e+01 -1.058158908323673e+01 1.340000000000000e-09 -1.217465239733428e-09 PASS
Energy [step 3] -1.058145774227798e+01 -1.058145773976834e+01 2.760000000000000e-09 -2.509640495418353e-09 PASS
Energy [step 4] -1.058134610372156e+01 -1.058134609837270e+01 6.140000000000000e-09 -5.348860909748510e-09 PASS
Forces [step 1] -1.538478572155761e-01 -1.538477490161332e-01 1.190000000000000e-07 -1.081994429330546e-07 PASS
Forces [step 2] -1.732216535537843e-01 -1.732217491278016e-01 1.050000000000000e-07 9.557401731141724e-08 PASS
Forces [step 3] -1.918267217197906e-01 -1.918264519326440e-01 2.970000000000000e-07 -2.697871465950907e-07 PASS
Forces [step 4] -2.092291825833131e-01 -2.092290824096458e-01 1.470000000000000e-07 -1.001736672778808e-07 PASS
Compare to other inputs