Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177400e+01 -3.791009280177380e+01 1.900000000000000e-12 -1.989519660128281e-13 PASS
Energy [step 5] -3.790974154516928e+01 -3.790974154516920e+01 2.000000000000000e-13 -8.526512829121202e-14 PASS
Energy [step 10] -3.790950309455626e+01 -3.790950309455620e+01 1.900000000000000e-12 -6.394884621840902e-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] -1.422367890291776e-02 -1.422367890290800e-02 1.860000000000000e-14 -9.757819552369540e-15 PASS
Forces [step 5] -7.618874990423130e-03 -7.618874990413800e-03 1.590000000000000e-14 -9.330210215541257e-15 PASS
Forces [step 10] -9.391687584815012e-03 -9.391687584811126e-03 1.530000000000000e-14 -3.885780586188048e-15 PASS
Forces [step 15] -1.049280232293781e-02 -1.049280232292293e-02 1.910000000000000e-14 -1.488045797692905e-14 PASS
Forces [step 20] -9.513371027096262e-03 -9.513371027100001e-03 4.760000000000000e-12 3.738329090730019e-15 PASS
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