Input 10-bomd.03-td_restart.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525103050e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.111600197617918e-09 PASS
Energy [step 2] -1.058224116957157e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.923173145878536e-09 PASS
Energy [step 3] -1.058220090186361e+01 -1.058220089493070e+01 1.750000000000000e-08 -6.932907581358450e-09 PASS
Energy [step 4] -1.058217202403066e+01 -1.058217201622326e+01 1.880000000000000e-08 -7.807404500681514e-09 PASS
Forces [step 1] -2.249921734861743e-01 -2.249921820564550e-01 6.550000000000000e-08 8.570280707331790e-09 PASS
Forces [step 2] -2.378889064020842e-01 -2.378889438721823e-01 9.500000000000000e-07 3.747009813537261e-08 PASS
Forces [step 3] -2.490735720337554e-01 -2.490739460340152e-01 1.480000000000000e-06 3.740002598451309e-07 PASS
Forces [step 4] -2.574424652277891e-01 -2.574437451703678e-01 2.180000000000000e-06 1.279942578702453e-06 PASS
Compare to other inputs