Input 10-bomd.03-td_restart.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680631e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112587852020624e-09 PASS
Energy [step 2] -1.058224115557066e+01 -1.058224116264840e+01 1.220000000000000e-08 7.077737507188431e-09 PASS
Energy [step 3] -1.058220088806780e+01 -1.058220089493070e+01 1.750000000000000e-08 6.862901358317686e-09 PASS
Energy [step 4] -1.058217201026411e+01 -1.058217201622326e+01 1.880000000000000e-08 5.959149618206538e-09 PASS
Forces [step 1] -2.249921906503523e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.593897343756041e-09 PASS
Forces [step 2] -2.378889788086832e-01 -2.378889438721823e-01 9.500000000000000e-07 -3.493650091446199e-08 PASS
Forces [step 3] -2.490734813565368e-01 -2.490739460340152e-01 1.480000000000000e-06 4.646774784122787e-07 PASS
Forces [step 4] -2.574436685884745e-01 -2.574437451703678e-01 2.180000000000000e-06 7.658189327131026e-08 PASS
Compare to other inputs