Input 16-bomd.02-td.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_serial_opt

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] -1.058156235008337e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285473061329867e-09 PASS
Energy [step 3] -1.058143100320452e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484917078187209e-09 PASS
Energy [step 4] -1.058131936460652e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.205215731190037e-09 PASS
Forces [step 1] -1.538556239289480e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616980118192e-07 PASS
Forces [step 2] -1.732296851460849e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823695510362661e-08 PASS
Forces [step 3] -1.918349264681831e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206738531323026e-07 PASS
Forces [step 4] -2.092373900335913e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.559393083578776e-07 PASS
Compare to other inputs