Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit 235dfa244e23366de619648bda83df5634b8df23 > Run intel_omp_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177381e+01 -3.791009280177380e+01 1.900000000000000e-12 -1.421085471520200e-14 PASS
Energy [step 5] -3.790974154516923e+01 -3.790974154516920e+01 2.000000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 10] -3.790950309455615e+01 -3.790950309455620e+01 1.900000000000000e-12 4.973799150320701e-14 PASS
Energy [step 15] -3.790933797735688e+01 -3.790933797735690e+01 1.900000000000000e-12 2.131628207280301e-14 PASS
Energy [step 20] -3.790917483206940e+01 -3.790917483206940e+01 1.900000000000000e-12 -7.105427357601002e-15 PASS
Forces [step 1] -1.422367890292020e-02 -1.422367890290800e-02 2.910000000000000e-14 -1.220031020654488e-14 PASS
Forces [step 5] -7.618874990424684e-03 -7.618874990413800e-03 2.500000000000000e-14 -1.088452245001648e-14 PASS
Forces [step 10] -9.391687584819230e-03 -9.391687584811126e-03 2.300000000000000e-14 -8.104628079763643e-15 PASS
Forces [step 15] -1.049280232294025e-02 -1.049280232292293e-02 2.660000000000000e-14 -1.732294863110440e-14 PASS
Forces [step 20] -9.513371027099593e-03 -9.513371027100001e-03 4.760000000000000e-12 4.076600168545497e-16 PASS
Compare to other inputs