Input 10-bomd.03-td_restart.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525102723e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.108328148319742e-09 PASS
Energy [step 2] -1.058224116952264e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.874245173094096e-09 PASS
Energy [step 3] -1.058220090195487e+01 -1.058220089493070e+01 1.750000000000000e-08 -7.024171466696316e-09 PASS
Energy [step 4] -1.058217202439747e+01 -1.058217201622326e+01 1.880000000000000e-08 -8.174211529876629e-09 PASS
Forces [step 1] -2.249921734808165e-01 -2.249921820564550e-01 6.550000000000000e-08 8.575638504870753e-09 PASS
Forces [step 2] -2.378888997704124e-01 -2.378889438721823e-01 9.500000000000000e-07 4.410176993041581e-08 PASS
Forces [step 3] -2.490737567616619e-01 -2.490739460340152e-01 1.480000000000000e-06 1.892723532626039e-07 PASS
Forces [step 4] -2.574434401972578e-01 -2.574437451703678e-01 2.180000000000000e-06 3.049731099880049e-07 PASS
Compare to other inputs