Input 15-crank_nicolson.04-freeze_states.inp
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 |