Input 10-bomd.02-td.inp

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-cmake-zen4: [foss2023a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828875e+01 -1.058173966727794e+01 1.110000000000000e-09 -1.010810990464961e-09 PASS
Energy [step 2] -1.058158908445418e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217481226944983e-09 PASS
Energy [step 3] -1.058145774227812e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509757734969753e-09 PASS
Energy [step 4] -1.058134610395946e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.583459028457582e-09 PASS
Forces [step 1] -1.538478572155778e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994468188352e-07 PASS
Forces [step 2] -1.732216535538449e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557399038850889e-08 PASS
Forces [step 3] -1.918267217375186e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697698556208827e-07 PASS
Forces [step 4] -2.092292173409877e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.344925640855976e-07 PASS
Compare to other inputs