Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Run foss_cmake: [foss2022a-serial, foss-full]

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] -3.790974154516928e+01 -3.790974154516920e+01 2.000000000000000e-13 -8.526512829121202e-14 PASS
Energy [step 10] -3.790950309455627e+01 -3.790950309455620e+01 1.900000000000000e-12 -7.105427357601002e-14 PASS
Energy [step 15] -3.790933797735693e+01 -3.790933797735690e+01 1.900000000000000e-12 -2.842170943040401e-14 PASS
Energy [step 20] -3.790917483206945e+01 -3.790917483206940e+01 1.900000000000000e-12 -5.684341886080801e-14 PASS
Forces [step 1] -1.422367890290976e-02 -1.422367890290800e-02 2.910000000000000e-14 -1.764213775068413e-15 PASS
Forces [step 5] -7.618874990412916e-03 -7.618874990413800e-03 2.500000000000000e-14 8.838416110101832e-16 PASS
Forces [step 10] -9.391687584812347e-03 -9.391687584811126e-03 2.300000000000000e-14 -1.221245327087672e-15 PASS
Forces [step 15] -1.049280232292382e-02 -1.049280232292293e-02 2.660000000000000e-14 -8.916478666520788e-16 PASS
Forces [step 20] -9.513371027087381e-03 -9.513371027100001e-03 4.760000000000000e-12 1.262011328773127e-14 PASS
Compare to other inputs