Input 10-bomd.03-td_restart.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525102833e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.109429489560171e-09 PASS
Energy [step 2] -1.058224116952309e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.874694591374464e-09 PASS
Energy [step 3] -1.058220090195202e+01 -1.058220089493070e+01 1.750000000000000e-08 -7.021320413969079e-09 PASS
Energy [step 4] -1.058217202448017e+01 -1.058217201622326e+01 1.880000000000000e-08 -8.256915151605426e-09 PASS
Forces [step 1] -2.249921734798467e-01 -2.249921820564550e-01 6.550000000000000e-08 8.576608256927187e-09 PASS
Forces [step 2] -2.378888998315488e-01 -2.378889438721823e-01 9.500000000000000e-07 4.404063344565223e-08 PASS
Forces [step 3] -2.490737895838362e-01 -2.490739460340152e-01 1.480000000000000e-06 1.564501789508288e-07 PASS
Forces [step 4] -2.574429794021587e-01 -2.574437451703678e-01 2.180000000000000e-06 7.657682091211093e-07 PASS
Compare to other inputs