Input 07-mgga.03-tb09_td.inp

Commits > Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] (libxc5) -4.657566324809636e+01 -4.647906570762484e+01 1.060000000000000e-01 -9.659754047152092e-02 PASS
Energy [step 5] (libxc5) -4.657612931584015e+01 -4.657612926021354e+01 6.120000000000001e-08 -5.562660732039149e-08 PASS
Energy [step 10] (libxc5) -4.657642748315946e+01 -4.657642785019272e+01 4.040000000000000e-07 3.670332660021813e-07 PASS
Energy [step 15] (libxc5) -4.657647547962669e+01 -4.657647517359855e+01 3.370000000000000e-07 -3.060281343891802e-07 PASS
Energy [step 20] (libxc5) -4.657643789746002e+01 -4.657643693274203e+01 1.060000000000000e-06 -9.647179908256476e-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
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