Input 10-bomd.02-td.inp

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472507e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013267691973851e-09 PASS
Energy [step 2] -1.058156235008336e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285458850475152e-09 PASS
Energy [step 3] -1.058143100320452e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484924183614567e-09 PASS
Energy [step 4] -1.058131936460846e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.207160841929181e-09 PASS
Forces [step 1] -1.538556239289433e-01 -1.538555154672571e-01 1.190000000000000e-07 -1.084616861879439e-07 PASS
Forces [step 2] -1.732296851461923e-01 -1.732297733830663e-01 9.710000000000000e-08 8.823687400183466e-08 PASS
Forces [step 3] -1.918349264745213e-01 -1.918348057889193e-01 1.330000000000000e-07 -1.206856020397051e-07 PASS
Forces [step 4] -2.092373897416790e-01 -2.092371333696214e-01 2.830000000000000e-07 -2.563720576387318e-07 PASS
Compare to other inputs