Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874431e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.953992523340276e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 4.973799150320701e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.239897073901375e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] 1.609823385706477e-15 -1.039108394869460e-15 3.830000000000000e-15 2.648931780575937e-15 PASS
Dipole [step 5] -3.955589211257075e-01 -3.955589211257070e-01 1.980000000000000e-14 -4.440892098500626e-16 PASS
Dipole [step 10] -7.406769413990189e-01 -7.406769413990340e-01 3.700000000000000e-14 1.509903313490213e-14 PASS
Dipole [step 15] -1.039087772402134e+00 -1.039087772402140e+00 5.200000000000000e-14 5.995204332975845e-15 PASS
Dipole [step 20] -1.295835165527731e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.088018564132653e-14 PASS
Compare to other inputs