Input 07-mgga.03-tb09_td.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] (libxc5) | -4.657566324808442e+01 | -4.647906570762484e+01 | 1.060000000000000e-01 | -9.659754045958380e-02 | PASS |
Energy [step 5] (libxc5) | -4.657612931583309e+01 | -4.657612926021354e+01 | 6.120000000000001e-08 | -5.561954452559803e-08 | PASS |
Energy [step 10] (libxc5) | -4.657642748317090e+01 | -4.657642785019272e+01 | 4.040000000000000e-07 | 3.670218191587082e-07 | PASS |
Energy [step 15] (libxc5) | -4.657647547964624e+01 | -4.657647517359855e+01 | 3.370000000000000e-07 | -3.060476885252683e-07 | PASS |
Energy [step 20] (libxc5) | -4.657643789746061e+01 | -4.657643693274203e+01 | 1.060000000000000e-06 | -9.647185734706909e-07 | PASS |
Vector potential [step 1] | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
Vector potential [step 5] (libxc5) | 9.928666877236719e+00 | 9.928666877230210e+00 | 4.960000000000000e-13 | 6.508571459562518e-12 | FAIL |
Vector potential [step 10] (libxc5) | 9.721533213373061e+00 | 9.721533213344554e+00 | 9.720000000000000e-14 | 2.850697455869522e-11 | FAIL |
Vector potential [step 15] (libxc5) | 9.393406286918692e+00 | 9.393406286839873e+00 | 9.390000000000000e-14 | 7.881872932102851e-11 | FAIL |
Vector potential [step 20] (libxc5) | 8.957517424199379e+00 | 8.957517424000001e+00 | 4.480000000000000e-08 | 1.993782916542841e-10 | PASS |