Input 07-mgga.03-tb09_td.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2022a_serial_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] (libxc5) -4.657566324808831e+01 -4.647906570762484e+01 1.060000000000000e-01 -9.659754046347047e-02 PASS
Energy [step 5] (libxc5) -4.657612931584126e+01 -4.657612926021354e+01 6.120000000000001e-08 -5.562772287248663e-08 PASS
Energy [step 10] (libxc5) -4.657642748318701e+01 -4.657642785019272e+01 4.040000000000000e-07 3.670057111548886e-07 PASS
Energy [step 15] (libxc5) -4.657647547967491e+01 -4.657647517359855e+01 3.370000000000000e-07 -3.060763589246562e-07 PASS
Energy [step 20] (libxc5) -4.657643789750094e+01 -4.657643693274203e+01 1.060000000000000e-06 -9.647589038763726e-07 PASS
Vector potential [step 1] 1.000000000000000e+01 1.000000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Vector potential [step 5] (libxc5) 9.928666877217873e+00 9.928666877230210e+00 4.960000000000000e-13 -1.233679824963474e-11 FAIL
Vector potential [step 10] (libxc5) 9.721533213212831e+00 9.721533213344554e+00 9.720000000000000e-14 -1.317221887120468e-10 FAIL
Vector potential [step 15] (libxc5) 9.393406286342850e+00 9.393406286839873e+00 9.390000000000000e-14 -4.970228673073507e-10 FAIL
Vector potential [step 20] (libxc5) 8.957517422749444e+00 8.957517424000001e+00 4.480000000000000e-08 -1.250556991294616e-09 PASS
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