Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run foss-cmake-zen4: [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] -3.790974154516931e+01 -3.790974154516920e+01 2.000000000000000e-13 -1.136868377216160e-13 PASS
Energy [step 10] -3.790950309455621e+01 -3.790950309455620e+01 1.900000000000000e-12 -1.421085471520200e-14 PASS
Energy [step 15] -3.790933797735698e+01 -3.790933797735690e+01 1.900000000000000e-12 -8.526512829121202e-14 PASS
Energy [step 20] -3.790917483206945e+01 -3.790917483206940e+01 1.900000000000000e-12 -5.684341886080801e-14 PASS
Forces [step 1] -1.422367890292908e-02 -1.422367890290800e-02 2.910000000000000e-14 -2.108209440354614e-14 PASS
Forces [step 5] -7.618874990435787e-03 -7.618874990413800e-03 2.500000000000000e-14 -2.198675269626804e-14 PASS
Forces [step 10] -9.391687584830111e-03 -9.391687584811126e-03 2.300000000000000e-14 -1.898481372109018e-14 PASS
Forces [step 15] -1.049280232294691e-02 -1.049280232292293e-02 2.660000000000000e-14 -2.398428677885533e-14 PASS
Forces [step 20] -9.513371027106698e-03 -9.513371027100001e-03 4.760000000000000e-12 -6.697767340746452e-15 PASS
Compare to other inputs