Input 10-bomd.03-td_restart.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680671e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112193500802277e-09 PASS
Energy [step 2] -1.058224115547673e+01 -1.058224116264840e+01 1.220000000000000e-08 7.171665927785398e-09 PASS
Energy [step 3] -1.058220088755713e+01 -1.058220089493070e+01 1.750000000000000e-08 7.373566646151630e-09 PASS
Energy [step 4] -1.058217200949593e+01 -1.058217201622326e+01 1.880000000000000e-08 6.727326251620980e-09 PASS
Forces [step 1] -2.249921906394300e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.582974969639778e-09 PASS
Forces [step 2] -2.378889625208290e-01 -2.378889438721823e-01 9.500000000000000e-07 -1.864864673795097e-08 PASS
Forces [step 3] -2.490734739306138e-01 -2.490739460340152e-01 1.480000000000000e-06 4.721034014276704e-07 PASS
Forces [step 4] -2.574437847859336e-01 -2.574437451703678e-01 2.180000000000000e-06 -3.961556582776637e-08 PASS
Compare to other inputs