Input 10-bomd.03-td_restart.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680668e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112221922511708e-09 PASS
Energy [step 2] -1.058224115547339e+01 -1.058224116264840e+01 1.220000000000000e-08 7.175007255000310e-09 PASS
Energy [step 3] -1.058220088764195e+01 -1.058220089493070e+01 1.750000000000000e-08 7.288747383427108e-09 PASS
Energy [step 4] -1.058217200967642e+01 -1.058217201622326e+01 1.880000000000000e-08 6.546839514953717e-09 PASS
Forces [step 1] -2.249921906340417e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.577586724234365e-09 PASS
Forces [step 2] -2.378889637961045e-01 -2.378889438721823e-01 9.500000000000000e-07 -1.992392220651062e-08 PASS
Forces [step 3] -2.490736679492019e-01 -2.490739460340152e-01 1.480000000000000e-06 2.780848133154823e-07 PASS
Forces [step 4] -2.574437074323401e-01 -2.574437451703678e-01 2.180000000000000e-06 3.773802764728273e-08 PASS
Compare to other inputs