| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.199499095000000e+01 |
-1.199499095000000e+01 |
5.999999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| DX Origin |
-2.645886000000000e+00 |
-2.645886000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| DX Delta |
2.645890000000000e-01 |
2.645890000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| DX value 1 |
1.669942847100000e-04 |
1.669942847100000e-04 |
8.350000000000000e-14 |
0.000000000000000e+00 |
PASS |
| DX value 2 |
1.133485125962000e-03 |
1.133485125962000e-03 |
5.670000000000000e-15 |
0.000000000000000e+00 |
PASS |
| vtk origin |
-2.645890000000000e+00 |
-2.645886000000000e+00 |
1.000000000000000e-05 |
-4.000000000115023e-06 |
PASS |
| vtk spacing |
2.645890000000000e-01 |
2.645890000000000e-01 |
1.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
| vtk dim density |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
| vtk dim grad_v0 |
3.000000000000000e+00 |
3.000000000000000e+00 |
1.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Axis pos 1 |
-2.645886042950000e+00 |
-2.645886042950000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Axis pos 9 |
-5.291772085899999e-01 |
-5.291772085899999e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Axis pos 17 |
1.587531625770000e+00 |
1.587531625770000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Axis value 1 |
2.912178966055940e-06 |
2.912178966086420e-06 |
9.740000000000000e-17 |
-3.048005709047237e-17 |
PASS |
| Axis value 9 |
2.759541183663520e-01 |
2.759541183663524e-01 |
2.760000000000000e-15 |
-4.440892098500626e-16 |
PASS |
| Axis value 17 |
6.570533651685490e-03 |
6.570533651685440e-03 |
3.290000000000000e-16 |
5.030698080332741e-17 |
PASS |
| Plane pos 10 Y |
-2.381297438655000e+00 |
-2.381297438655000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Plane pos 10 Z |
-1.058354417180000e+00 |
-1.058354417180000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Plane pos 30 Y |
-2.116708834360000e+00 |
-2.116708834360000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Plane pos 30 Z |
1.058354417180000e+00 |
1.058354417180000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Plane pos 295 Y |
1.587531625770000e+00 |
1.587531625770000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Plane pos 295 Z |
2.645886042950000e-01 |
2.645886042950000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Plane value 10 |
2.234822034665290e-05 |
2.234822034667115e-05 |
6.990000000000000e-17 |
-1.824847781564665e-17 |
PASS |
| Plane value 30 |
1.897735924800080e-04 |
1.897735924800070e-04 |
9.500000000000000e-14 |
1.002887009549092e-18 |
PASS |
| Plane value 295 |
6.066389215166480e-03 |
6.066389215166420e-03 |
3.030000000000000e-16 |
5.984795992119984e-17 |
PASS |
| Plane value 10 Grad-y v0 |
-1.426671572786820e+01 |
-1.426671572786820e+01 |
7.130000000000000e-13 |
0.000000000000000e+00 |
PASS |
| XCrySDen geometry |
2.645886000000000e+00 |
2.645886000000000e+00 |
7.130000000000000e-13 |
0.000000000000000e+00 |
PASS |
| XCrySDen wf 1 |
2.645886000000000e+00 |
2.645886000000000e+00 |
7.130000000000000e-13 |
0.000000000000000e+00 |
PASS |
| XCrySDen wf 2 |
5.291772000000000e+00 |
5.291772000000000e+00 |
7.130000000000000e-13 |
0.000000000000000e+00 |
PASS |
| XCrySDen wf 3 |
1.054410029564900e-02 |
1.054384373128400e-02 |
1.000000000000000e-06 |
2.565643650014743e-07 |
PASS |
| XCrySDen wf 4 |
7.238581592142000e-03 |
7.238401100039000e-03 |
1.000000000000000e-06 |
1.804921030005083e-07 |
PASS |
| wf-st00001.axis_x 2 coordinate |
-2.645886042950000e+00 |
-2.645886042950000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.axis_x 3 coordinate |
-2.381297438655000e+00 |
-2.381297438655000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.axis_x 11 coordinate |
-2.645886042950000e-01 |
-2.645886042950000e-01 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.axis_x 12 coordinate |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.axis_x 21 coordinate |
2.381297438655000e+00 |
2.381297438655000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.axis_x 22 coordinate |
2.645886042950000e+00 |
2.645886042950000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.axis_x 2 value |
1.706468592537810e-03 |
1.706419008572920e-03 |
1.000000000000000e-06 |
4.958396489012848e-08 |
PASS |
| wf-st00001.axis_x 3 value |
1.194449587091860e-02 |
1.194423521022210e-02 |
1.000000000000000e-06 |
2.606606965011721e-07 |
PASS |
| wf-st00001.axis_x 11 value |
8.516417822056820e-01 |
8.516417759325841e-01 |
1.000000000000000e-06 |
6.273097929998528e-09 |
PASS |
| wf-st00001.axis_x 12 value |
1.046840010679180e+00 |
1.046840001503170e+00 |
1.000000000000000e-06 |
9.176009951872288e-09 |
PASS |
| wf-st00001.axis_x 21 value |
1.194449587091860e-02 |
1.194423521022210e-02 |
1.000000000000000e-06 |
2.606606965011721e-07 |
PASS |
| wf-st00001.axis_x 22 value |
1.706468592537810e-03 |
1.706419008572920e-03 |
1.000000000000000e-06 |
4.958396489012848e-08 |
PASS |
| wf-st00001.plane_x 7 coordinate_x |
-2.645886042950000e+00 |
-2.645886042950000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 9 coordinate_x |
-2.381297438655000e+00 |
-2.381297438655000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 35 coordinate_x |
-1.852120230065000e+00 |
-1.852120230065000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 36 coordinate_x |
-1.852120230065000e+00 |
-1.852120230065000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 78 coordinate_x |
-1.322943021475000e+00 |
-1.322943021475000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 328 coordinate_x |
2.116708834360000e+00 |
2.116708834360000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 7 coordinate_y |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 9 coordinate_y |
-1.058354417180000e+00 |
-1.058354417180000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 35 coordinate_y |
-1.322943021475000e+00 |
-1.322943021475000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 36 coordinate_y |
-1.058354417180000e+00 |
-1.058354417180000e+00 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 78 coordinate_y |
7.937658128850000e-01 |
7.937658128850000e-01 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 328 coordinate_y |
7.937658128850000e-01 |
7.937658128850000e-01 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| wf-st00001.plane_x 7 value |
1.706468592537810e-03 |
1.706419008572920e-03 |
1.000000000000000e-06 |
4.958396489012848e-08 |
PASS |
| wf-st00001.plane_x 9 value |
4.727377001871270e-03 |
4.727222349564690e-03 |
1.000000000000000e-06 |
1.546523065798847e-07 |
PASS |
| wf-st00001.plane_x 35 value |
1.806368591772340e-02 |
1.806327354251150e-02 |
1.000000000000000e-06 |
4.123752119014612e-07 |
PASS |
| wf-st00001.plane_x 36 value |
2.660263797736580e-02 |
2.660223338101610e-02 |
1.000000000000000e-06 |
4.045963497012472e-07 |
PASS |
| wf-st00001.plane_x 78 value |
8.796343533477100e-02 |
8.796343828957705e-02 |
1.000000000000000e-06 |
-2.954806052613002e-09 |
PASS |
| wf-st00001.plane_x 328 value |
1.918020055545480e-02 |
1.917981944187900e-02 |
1.000000000000000e-06 |
3.811135758022277e-07 |
PASS |