Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177390e+01 -3.791009280177380e+01 1.900000000000000e-12 -9.947598300641403e-14 PASS
Energy [step 5] -3.790974154516935e+01 -3.790974154516920e+01 2.000000000000000e-13 -1.492139745096210e-13 PASS
Energy [step 10] -3.790950309455619e+01 -3.790950309455620e+01 1.900000000000000e-12 7.105427357601002e-15 PASS
Energy [step 15] -3.790933797735698e+01 -3.790933797735690e+01 1.900000000000000e-12 -7.815970093361102e-14 PASS
Energy [step 20] -3.790917483206945e+01 -3.790917483206940e+01 1.900000000000000e-12 -4.973799150320701e-14 PASS
Forces [step 1] -1.422367890290999e-02 -1.422367890290800e-02 2.910000000000000e-14 -1.986258379993444e-15 PASS
Forces [step 5] -7.618874990413804e-03 -7.618874990413800e-03 2.500000000000000e-14 -4.336808689942018e-18 PASS
Forces [step 10] -9.391687584811237e-03 -9.391687584811126e-03 2.300000000000000e-14 -1.110223024625157e-16 PASS
Forces [step 15] -1.049280232292626e-02 -1.049280232292293e-02 2.000000000000000e-14 -3.334138520827423e-15 PASS
Forces [step 20] -9.513371027085604e-03 -9.513371027100001e-03 4.760000000000000e-12 1.439647012713152e-14 PASS
Compare to other inputs