Input 10-bomd.03-td_restart.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680676e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112134881026577e-09 PASS
Energy [step 2] -1.058224115547984e+01 -1.058224116264840e+01 1.220000000000000e-08 7.168564408743805e-09 PASS
Energy [step 3] -1.058220088755002e+01 -1.058220089493070e+01 1.750000000000000e-08 7.380679178936589e-09 PASS
Energy [step 4] -1.058217200956461e+01 -1.058217201622326e+01 1.880000000000000e-08 6.658648743496087e-09 PASS
Forces [step 1] -2.249921906324596e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.576004628668699e-09 PASS
Forces [step 2] -2.378889657049817e-01 -2.378889438721823e-01 9.500000000000000e-07 -2.183279940171090e-08 PASS
Forces [step 3] -2.490740942293849e-01 -2.490739460340152e-01 1.480000000000000e-06 -1.481953696980121e-07 PASS
Forces [step 4] -2.574436358482886e-01 -2.574437451703678e-01 2.180000000000000e-06 1.093220791670291e-07 PASS
Compare to other inputs