Input 16-bomd.02-td.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472508e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013276573758048e-09 PASS
Energy [step 2] -1.058156235008338e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285483719470903e-09 PASS
Energy [step 3] -1.058143100320451e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484913525473530e-09 PASS
Energy [step 4] -1.058131936460883e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.207528547794936e-09 PASS
Forces [step 1] -1.538556239289474e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616973734409e-07 PASS
Forces [step 2] -1.732296851462213e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823681871272804e-08 PASS
Forces [step 3] -1.918349264891649e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206948349319337e-07 PASS
Forces [step 4] -2.092373883085742e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.542142911732270e-07 PASS
Compare to other inputs