Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177376e+01 -3.791009280177380e+01 1.900000000000000e-12 3.552713678800501e-14 PASS
Energy [step 5] -3.790974154516928e+01 -3.790974154516920e+01 2.000000000000000e-13 -8.526512829121202e-14 PASS
Energy [step 10] -3.790950309455625e+01 -3.790950309455620e+01 1.900000000000000e-12 -4.973799150320701e-14 PASS
Energy [step 15] -3.790933797735689e+01 -3.790933797735690e+01 1.900000000000000e-12 7.105427357601002e-15 PASS
Energy [step 20] -3.790917483206944e+01 -3.790917483206940e+01 1.900000000000000e-12 -4.263256414560601e-14 PASS
Forces [step 1] -1.422367890293308e-02 -1.422367890290800e-02 2.910000000000000e-14 -2.507889729219670e-14 PASS
Forces [step 5] -7.618874990435343e-03 -7.618874990413800e-03 2.500000000000000e-14 -2.154266348641798e-14 PASS
Forces [step 10] -9.391687584833441e-03 -9.391687584811126e-03 2.300000000000000e-14 -2.231548279496565e-14 PASS
Forces [step 15] -1.049280232294469e-02 -1.049280232292293e-02 2.660000000000000e-14 -2.176384072960502e-14 PASS
Forces [step 20] -9.513371027105588e-03 -9.513371027100001e-03 4.760000000000000e-12 -5.587544316121296e-15 PASS
Compare to other inputs