Input 10-bomd.03-td_restart.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680660e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112298305855802e-09 PASS
Energy [step 2] -1.058224115547954e+01 -1.058224116264840e+01 1.220000000000000e-08 7.168861060335985e-09 PASS
Energy [step 3] -1.058220088754595e+01 -1.058220089493070e+01 1.750000000000000e-08 7.384748812455655e-09 PASS
Energy [step 4] -1.058217200958940e+01 -1.058217201622326e+01 1.880000000000000e-08 6.633856131088578e-09 PASS
Forces [step 1] -2.249921906401836e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.583728589028894e-09 PASS
Forces [step 2] -2.378889628983109e-01 -2.378889438721823e-01 9.500000000000000e-07 -1.902612864479458e-08 PASS
Forces [step 3] -2.490733309866723e-01 -2.490739460340152e-01 1.480000000000000e-06 6.150473428889747e-07 PASS
Forces [step 4] -2.574434664396730e-01 -2.574437451703678e-01 2.180000000000000e-06 2.787306947471535e-07 PASS
Compare to other inputs