Input 10-bomd.02-td.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472508e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013281902828567e-09 PASS
Energy [step 2] -1.058156235008338e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285476614043546e-09 PASS
Energy [step 3] -1.058143100320452e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484918854544048e-09 PASS
Energy [step 4] -1.058131936460718e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.205883641361652e-09 PASS
Forces [step 1] -1.538556239289454e-01 -1.538555154672571e-01 1.190000000000000e-07 -1.084616882973677e-07 PASS
Forces [step 2] -1.732296851461166e-01 -1.732297733830663e-01 9.710000000000000e-08 8.823694969128937e-08 PASS
Forces [step 3] -1.918349264921927e-01 -1.918348057889193e-01 1.330000000000000e-07 -1.207032734040769e-07 PASS
Forces [step 4] -2.092373877058767e-01 -2.092371333696214e-01 2.830000000000000e-07 -2.543362553064643e-07 PASS
Compare to other inputs