Input 10-bomd.03-td_restart.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680602e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112880950899125e-09 PASS
Energy [step 2] -1.058224115550203e+01 -1.058224116264840e+01 1.220000000000000e-08 7.146368830035499e-09 PASS
Energy [step 3] -1.058220088787854e+01 -1.058220089493070e+01 1.750000000000000e-08 7.052163297771585e-09 PASS
Energy [step 4] -1.058217201025101e+01 -1.058217201622326e+01 1.880000000000000e-08 5.972246697183436e-09 PASS
Forces [step 1] -2.249921906442147e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.587759697809005e-09 PASS
Forces [step 2] -2.378889665308219e-01 -2.378889438721823e-01 9.500000000000000e-07 -2.265863960349002e-08 PASS
Forces [step 3] -2.490737732672017e-01 -2.490739460340152e-01 1.480000000000000e-06 1.727668135220739e-07 PASS
Forces [step 4] -2.574438110335348e-01 -2.574437451703678e-01 2.180000000000000e-06 -6.586316697587691e-08 PASS
Compare to other inputs