Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177399e+01 -3.791009280177380e+01 1.900000000000000e-12 -1.918465386552271e-13 PASS
Energy [step 5] -3.790974154516929e+01 -3.790974154516920e+01 2.000000000000000e-13 -9.237055564881302e-14 PASS
Energy [step 10] -3.790950309455624e+01 -3.790950309455620e+01 1.900000000000000e-12 -3.552713678800501e-14 PASS
Energy [step 15] -3.790933797735687e+01 -3.790933797735690e+01 1.900000000000000e-12 2.842170943040401e-14 PASS
Energy [step 20] -3.790917483206918e+01 -3.790917483206940e+01 1.900000000000000e-12 2.131628207280301e-13 PASS
Forces [step 1] -1.422367890292175e-02 -1.422367890290800e-02 2.910000000000000e-14 -1.375462244102010e-14 PASS
Forces [step 5] -7.618874990424018e-03 -7.618874990413800e-03 2.500000000000000e-14 -1.021838863524138e-14 PASS
Forces [step 10] -9.391687584816122e-03 -9.391687584811126e-03 2.300000000000000e-14 -4.996003610813204e-15 PASS
Forces [step 15] -1.049280232293848e-02 -1.049280232292293e-02 2.660000000000000e-14 -1.554659179170415e-14 PASS
Forces [step 20] -9.513371027096262e-03 -9.513371027100001e-03 4.760000000000000e-12 3.738329090730019e-15 PASS
Compare to other inputs