Input 04-lithium.02-absorbing_boundaries.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| N_electrons [step 0] |
2.999999999999998e+00 |
3.000000000000000e+00 |
2.000000000000000e-07 |
-1.776356839400250e-15 |
PASS |
| N_electrons [step 500] |
2.926157655583581e+00 |
2.926157647067783e+00 |
1.820000000000000e-07 |
8.515797844665940e-09 |
PASS |
| N_electrons [step 1112] |
2.353009973298093e+00 |
2.353010052117660e+00 |
3.500000000000000e-07 |
-7.881956687327829e-08 |
PASS |
| norm11 [step 0] |
9.999999999999997e-01 |
1.000000000000000e+00 |
1.300000000000000e-07 |
-3.330669073875470e-16 |
PASS |
| norm11 [step 500] |
9.848360352551868e-01 |
9.848360389306172e-01 |
1.300000000000000e-07 |
-3.675430404470603e-09 |
PASS |
| norm11 [step 1112] |
8.637100568751762e-01 |
8.637099847839140e-01 |
3.000000000000000e-07 |
7.209126218210571e-08 |
PASS |
| norm21 [step 0] |
9.999999999999996e-01 |
1.000000000000000e+00 |
3.000000000000000e-07 |
-4.440892098500626e-16 |
PASS |
| norm21 [step 500] |
9.923827820904848e-01 |
9.923827888392015e-01 |
3.000000000000000e-07 |
-6.748716696591828e-09 |
PASS |
| norm21 [step 1112] |
9.199553478793693e-01 |
9.199554254748805e-01 |
3.000000000000000e-07 |
-7.759551123864838e-08 |
PASS |