Input 10-bomd.03-td_restart.inp

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680672e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112181066304402e-09 PASS
Energy [step 2] -1.058224115547321e+01 -1.058224116264840e+01 1.220000000000000e-08 7.175188443397928e-09 PASS
Energy [step 3] -1.058220088768201e+01 -1.058220089493070e+01 1.750000000000000e-08 7.248686983984953e-09 PASS
Energy [step 4] -1.058217201042119e+01 -1.058217201622326e+01 1.880000000000000e-08 5.802073488325732e-09 PASS
Forces [step 1] -2.249921906340699e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.577614923899191e-09 PASS
Forces [step 2] -2.378889637234013e-01 -2.378889438721823e-01 9.500000000000000e-07 -1.985121902969844e-08 PASS
Forces [step 3] -2.490736714892036e-01 -2.490739460340152e-01 1.480000000000000e-06 2.745448116070470e-07 PASS
Forces [step 4] -2.574435990380771e-01 -2.574437451703678e-01 2.180000000000000e-06 1.461322907125862e-07 PASS
Compare to other inputs