Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177374e+01 -3.791009280177380e+01 1.900000000000000e-12 5.684341886080801e-14 PASS
Energy [step 5] -3.790974154516920e+01 -3.790974154516920e+01 2.000000000000000e-13 0.000000000000000e+00 PASS
Energy [step 10] -3.790950309455605e+01 -3.790950309455620e+01 1.900000000000000e-12 1.492139745096210e-13 PASS
Energy [step 15] -3.790933797735687e+01 -3.790933797735690e+01 1.900000000000000e-12 2.842170943040401e-14 PASS
Energy [step 20] -3.790917483206933e+01 -3.790917483206940e+01 1.900000000000000e-12 7.105427357601002e-14 PASS
Forces [step 1] -1.422367890292020e-02 -1.422367890290800e-02 2.910000000000000e-14 -1.220031020654488e-14 PASS
Forces [step 5] -7.618874990425129e-03 -7.618874990413800e-03 2.500000000000000e-14 -1.132861165986654e-14 PASS
Forces [step 10] -9.391687584823005e-03 -9.391687584811126e-03 2.300000000000000e-14 -1.187938636348917e-14 PASS
Forces [step 15] -1.049280232293892e-02 -1.049280232292293e-02 2.000000000000000e-14 -1.599068100155421e-14 PASS
Forces [step 20] -9.513371027098483e-03 -9.513371027100001e-03 4.760000000000000e-12 1.517883041479706e-15 PASS
Compare to other inputs