Input 10-bomd.03-td_restart.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122523680681e+01 -1.058122524391890e+01 7.820000000000000e-09 7.112092248462432e-09 PASS
Energy [step 2] -1.058224115547035e+01 -1.058224116264840e+01 1.220000000000000e-08 7.178050154266202e-09 PASS
Energy [step 3] -1.058220088843416e+01 -1.058220089493070e+01 1.750000000000000e-08 6.496541971046099e-09 PASS
Energy [step 4] -1.058217201125072e+01 -1.058217201622326e+01 1.880000000000000e-08 4.972539713321567e-09 PASS
Forces [step 1] -2.249921906364956e-01 -2.249921820564550e-01 6.550000000000000e-08 -8.580040622430118e-09 PASS
Forces [step 2] -2.378889621806616e-01 -2.378889438721823e-01 9.500000000000000e-07 -1.830847926043155e-08 PASS
Forces [step 3] -2.490740009119775e-01 -2.490739460340152e-01 1.480000000000000e-06 -5.487796234104891e-08 PASS
Forces [step 4] -2.574433894645050e-01 -2.574437451703678e-01 2.180000000000000e-06 3.557058628200771e-07 PASS
Compare to other inputs