Input 10-bomd.03-td_restart.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525102607e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.107175292730972e-09 PASS
Energy [step 2] -1.058224116954098e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.892584281104064e-09 PASS
Energy [step 3] -1.058220090157205e+01 -1.058220089493070e+01 1.750000000000000e-08 -6.641354133307686e-09 PASS
Energy [step 4] -1.058217202363781e+01 -1.058217201622326e+01 1.880000000000000e-08 -7.414550751150273e-09 PASS
Forces [step 1] -2.249921734856511e-01 -2.249921820564550e-01 6.550000000000000e-08 8.570803872176569e-09 PASS
Forces [step 2] -2.378889020883620e-01 -2.378889438721823e-01 9.500000000000000e-07 4.178382029262906e-08 PASS
Forces [step 3] -2.490738027804357e-01 -2.490739460340152e-01 1.480000000000000e-06 1.432535794709811e-07 PASS
Forces [step 4] -2.574435129613592e-01 -2.574437451703678e-01 2.180000000000000e-06 2.322090085771222e-07 PASS
Compare to other inputs