Input 05-time_propagation.06-td_fast_md.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177392e+01 -3.791009280177380e+01 1.900000000000000e-12 -1.207922650792170e-13 PASS
Energy [step 5] -3.790974154516935e+01 -3.790974154516920e+01 2.000000000000000e-13 -1.563194018672220e-13 PASS
Energy [step 10] -3.790950309455622e+01 -3.790950309455620e+01 1.900000000000000e-12 -2.131628207280301e-14 PASS
Energy [step 15] -3.790933797735700e+01 -3.790933797735690e+01 1.900000000000000e-12 -9.947598300641403e-14 PASS
Energy [step 20] -3.790917483206947e+01 -3.790917483206940e+01 1.900000000000000e-12 -7.815970093361102e-14 PASS
Forces [step 1] -1.422367890291221e-02 -1.422367890290800e-02 2.910000000000000e-14 -4.206704429243757e-15 PASS
Forces [step 5] -7.618874990418467e-03 -7.618874990413800e-03 2.500000000000000e-14 -4.667273512115599e-15 PASS
Forces [step 10] -9.391687584812791e-03 -9.391687584811126e-03 2.300000000000000e-14 -1.665334536937735e-15 PASS
Forces [step 15] -1.049280232292649e-02 -1.049280232292293e-02 2.000000000000000e-14 -3.556183125752455e-15 PASS
Forces [step 20] -9.513371027084716e-03 -9.513371027100001e-03 4.760000000000000e-12 1.528464854683165e-14 PASS
Compare to other inputs