Input 10-bomd.03-td_restart.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525104036e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.121460754433429e-09 PASS
Energy [step 2] -1.058224116976945e+01 -1.058224116264840e+01 1.220000000000000e-08 -7.121046863289848e-09 PASS
Energy [step 3] -1.058220090241464e+01 -1.058220089493070e+01 1.750000000000000e-08 -7.483935249297247e-09 PASS
Energy [step 4] -1.058217202494872e+01 -1.058217201622326e+01 1.880000000000000e-08 -8.725457689706673e-09 PASS
Forces [step 1] -2.249921734554478e-01 -2.249921820564550e-01 6.550000000000000e-08 8.601007212005740e-09 PASS
Forces [step 2] -2.378889560666237e-01 -2.378889438721823e-01 9.500000000000000e-07 -1.219444142885884e-08 PASS
Forces [step 3] -2.490735489243177e-01 -2.490739460340152e-01 1.480000000000000e-06 3.971096975141641e-07 PASS
Forces [step 4] -2.574438526482651e-01 -2.574437451703678e-01 2.180000000000000e-06 -1.074778973042534e-07 PASS
Compare to other inputs