Input 02-octopus_basics-basic_input_options.01-N_atom.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Number of inner points |
8.972700000000000e+04 |
8.972700000000000e+04 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Grid cutoff |
1.160586810000000e+03 |
1.160586810000000e+03 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Matrix vector products |
2.500000000000000e+01 |
2.500000000000000e+01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Converged eigenvectors |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total Energy |
-2.622416245100000e+02 |
-2.622406766300001e+02 |
9.950000000000000e-04 |
-9.478799999556031e-04 |
PASS |