Input 07-mgga.03-tb09_td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] (libxc5) | -4.657566324809526e+01 | -4.647906570762484e+01 | 1.060000000000000e-01 | -9.659754047041957e-02 | PASS |
| Energy [step 5] (libxc5) | -4.657612931583905e+01 | -4.657612926021354e+01 | 6.120000000000001e-08 | -5.562551308457842e-08 | PASS |
| Energy [step 10] (libxc5) | -4.657642748315836e+01 | -4.657642785019272e+01 | 4.040000000000000e-07 | 3.670343602379944e-07 | PASS |
| Energy [step 15] (libxc5) | -4.657647547962559e+01 | -4.657647517359855e+01 | 3.370000000000000e-07 | -3.060270330479398e-07 | PASS |
| Energy [step 20] (libxc5) | -4.657643789745892e+01 | -4.657643693274203e+01 | 1.060000000000000e-06 | -9.647168823789798e-07 | PASS |
| Vector potential [step 1] | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Vector potential [step 5] (libxc5) | 9.928666877230210e+00 | 9.928666877230210e+00 | 4.960000000000000e-13 | 0.000000000000000e+00 | PASS |
| Vector potential [step 10] (libxc5) | 9.721533213344554e+00 | 9.721533213344554e+00 | 9.720000000000000e-14 | 0.000000000000000e+00 | PASS |
| Vector potential [step 15] (libxc5) | 9.393406286839875e+00 | 9.393406286839873e+00 | 9.390000000000000e-14 | 1.776356839400250e-15 | PASS |
| Vector potential [step 20] (libxc5) | 8.957517424000038e+00 | 8.957517424000001e+00 | 4.480000000000000e-08 | 3.730349362740526e-14 | PASS |