Input 07-mgga.03-tb09_td.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] (libxc5) -4.638246816715382e+01 -4.647906570762484e+01 1.060000000000000e-01 9.659754047102354e-02 PASS
Energy [step 5] (libxc5) -4.657612920458745e+01 -4.657612926021354e+01 6.120000000000001e-08 5.562608862419438e-08 PASS
Energy [step 10] (libxc5) -4.657642821722993e+01 -4.657642785019272e+01 4.040000000000000e-07 -3.670372095143648e-07 PASS
Energy [step 15] (libxc5) -4.657647486757097e+01 -4.657647517359855e+01 3.370000000000000e-07 3.060275872712737e-07 PASS
Energy [step 20] (libxc5) -4.657643596802454e+01 -4.657643693274203e+01 1.060000000000000e-06 9.647174934457325e-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
Compare to other inputs