Input 10-bomd.03-td_restart.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680660e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112296529498963e-09 PASS
Energy [step 2] -1.058224115550385e+01 -1.058224116264840e+01 1.220000000000000e-08 7.144548064275114e-09 PASS
Energy [step 3] -1.058220088790326e+01 -1.058220089493070e+01 1.750000000000000e-08 7.027436410567134e-09 PASS
Energy [step 4] -1.058217201019650e+01 -1.058217201622326e+01 1.880000000000000e-08 6.026759535870951e-09 PASS
Forces [step 1] -2.249921906439133e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.587458327768971e-09 PASS
Forces [step 2] -2.378889667345525e-01 -2.378889438721823e-01 9.500000000000000e-07 -2.286237016368986e-08 PASS
Forces [step 3] -2.490737563096439e-01 -2.490739460340152e-01 1.480000000000000e-06 1.897243712967178e-07 PASS
Forces [step 4] -2.574433027521243e-01 -2.574437451703678e-01 2.180000000000000e-06 4.424182434847879e-07 PASS
Compare to other inputs