Input 16-bomd.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472506e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013258810189654e-09 PASS
Energy [step 2] -1.058156235008336e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285457074118312e-09 PASS
Energy [step 3] -1.058143100320454e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484940170826121e-09 PASS
Energy [step 4] -1.058131936460804e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.206738069001403e-09 PASS
Forces [step 1] -1.538556239289467e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616966795515e-07 PASS
Forces [step 2] -1.732296851461635e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823687652759205e-08 PASS
Forces [step 3] -1.918349264914543e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206971243505883e-07 PASS
Forces [step 4] -2.092373879320682e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.538377852079332e-07 PASS
Compare to other inputs