Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run intel-omp: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177380e+01 -3.791009280177380e+01 1.900000000000000e-12 0.000000000000000e+00 PASS
Energy [step 5] -3.790974154516921e+01 -3.790974154516920e+01 2.000000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 10] -3.790950309455615e+01 -3.790950309455620e+01 1.900000000000000e-12 4.973799150320701e-14 PASS
Energy [step 15] -3.790933797735687e+01 -3.790933797735690e+01 1.900000000000000e-12 2.842170943040401e-14 PASS
Energy [step 20] -3.790917483206942e+01 -3.790917483206940e+01 1.900000000000000e-12 -2.131628207280301e-14 PASS
Forces [step 1] -1.422367890292087e-02 -1.422367890290800e-02 2.910000000000000e-14 -1.286644402131998e-14 PASS
Forces [step 5] -7.618874990424906e-03 -7.618874990413800e-03 2.500000000000000e-14 -1.110656705494151e-14 PASS
Forces [step 10] -9.391687584817676e-03 -9.391687584811126e-03 2.300000000000000e-14 -6.550315845288424e-15 PASS
Forces [step 15] -1.049280232294070e-02 -1.049280232292293e-02 2.660000000000000e-14 -1.776703784095446e-14 PASS
Forces [step 20] -9.513371027098039e-03 -9.513371027100001e-03 4.760000000000000e-12 1.961972251329769e-15 PASS
Compare to other inputs