Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 > Run eb_foss-2022b_libxc6

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874430e+01 -1.022654035874430e+01 5.110000000000000e-13 3.552713678800501e-15 PASS
Energy [step 5] -1.014064572817563e+01 -1.014064572817560e+01 5.070000000000000e-14 -3.375077994860476e-14 PASS
Energy [step 10] -1.013378662931816e+01 -1.013378662931820e+01 5.070000000000000e-13 3.552713678800501e-14 PASS
Energy [step 15] -1.012560361793023e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.229238932864973e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -8.881784197001252e-15 PASS
Dipole [step 1] -9.843762157940756e-16 -1.039108394869460e-15 3.830000000000000e-15 5.473217907538442e-17 PASS
Dipole [step 5] -3.955589211257088e-01 -3.955589211257070e-01 1.980000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 10] -7.406769413990204e-01 -7.406769413990340e-01 3.700000000000000e-14 1.354472090042691e-14 PASS
Dipole [step 15] -1.039087772402132e+00 -1.039087772402140e+00 5.200000000000000e-14 7.549516567451064e-15 PASS
Dipole [step 20] -1.295835165527720e+00 -1.295835165527720e+00 6.480000000000000e-14 2.220446049250313e-16 PASS
Compare to other inputs