Input 07-mgga.03-tb09_td.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_mpi_min

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 -5.562550597915106e-08 PASS
Energy [step 10] (libxc5) -4.657642748315835e+01 -4.657642785019272e+01 4.040000000000000e-07 3.670343673434218e-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 -9.647168894844071e-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) 9.393406286839873e+00 9.393406286839873e+00 9.390000000000000e-14 0.000000000000000e+00 PASS
Vector potential [step 20] (libxc5) 8.957517424000036e+00 8.957517424000001e+00 4.480000000000000e-08 3.552713678800501e-14 PASS
Compare to other inputs