Input 07-mgga.03-tb09_td.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_intel-2022a_impi_omp

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
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