Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Run foss_cmake: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177393e+01 -3.791009280177380e+01 1.900000000000000e-12 -1.278976924368180e-13 PASS
Energy [step 5] -3.790974154516930e+01 -3.790974154516920e+01 2.000000000000000e-13 -9.947598300641403e-14 PASS
Energy [step 10] -3.790950309455621e+01 -3.790950309455620e+01 1.900000000000000e-12 -7.105427357601002e-15 PASS
Energy [step 15] -3.790933797735701e+01 -3.790933797735690e+01 1.900000000000000e-12 -1.136868377216160e-13 PASS
Energy [step 20] -3.790917483206947e+01 -3.790917483206940e+01 1.900000000000000e-12 -7.105427357601002e-14 PASS
Forces [step 1] -1.422367890291198e-02 -1.422367890290800e-02 2.910000000000000e-14 -3.984659824318726e-15 PASS
Forces [step 5] -7.618874990416691e-03 -7.618874990413800e-03 2.500000000000000e-14 -2.890916672715349e-15 PASS
Forces [step 10] -9.391687584813901e-03 -9.391687584811126e-03 2.300000000000000e-14 -2.775557561562891e-15 PASS
Forces [step 15] -1.049280232292871e-02 -1.049280232292293e-02 2.660000000000000e-14 -5.776629175002768e-15 PASS
Forces [step 20] -9.513371027086270e-03 -9.513371027100001e-03 4.760000000000000e-12 1.373033631235643e-14 PASS
Compare to other inputs