Input 10-bomd.03-td_restart.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525102786e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.108962307711408e-09 PASS
Energy [step 2] -1.058224116961740e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.969004928691902e-09 PASS
Energy [step 3] -1.058220090201460e+01 -1.058220089493070e+01 1.750000000000000e-08 -7.083899689064310e-09 PASS
Energy [step 4] -1.058217202440462e+01 -1.058217201622326e+01 1.880000000000000e-08 -8.181359589798376e-09 PASS
Forces [step 1] -2.249921734690114e-01 -2.249921820564550e-01 6.550000000000000e-08 8.587443589558319e-09 PASS
Forces [step 2] -2.378889243296275e-01 -2.378889438721823e-01 9.500000000000000e-07 1.954255476888100e-08 PASS
Forces [step 3] -2.490744514764604e-01 -2.490739460340152e-01 1.480000000000000e-06 -5.054424452310968e-07 PASS
Forces [step 4] -2.574436150450063e-01 -2.574437451703678e-01 2.180000000000000e-06 1.301253614305331e-07 PASS
Compare to other inputs