Input 07-mgga.03-tb09_td.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] (libxc5) -4.657566324809212e+01 -4.647906570762484e+01 1.060000000000000e-01 -9.659754046727898e-02 PASS
Energy [step 5] (libxc5) -4.657612931584331e+01 -4.657612926021354e+01 6.120000000000001e-08 -5.562976923556562e-08 PASS
Energy [step 10] (libxc5) -4.657642748318198e+01 -4.657642785019272e+01 4.040000000000000e-07 3.670107417974577e-07 PASS
Energy [step 15] (libxc5) -4.657647547967421e+01 -4.657647517359855e+01 3.370000000000000e-07 -3.060756554873478e-07 PASS
Energy [step 20] (libxc5) -4.657643789751696e+01 -4.657643693274203e+01 1.060000000000000e-06 -9.647749266150640e-07 PASS
Vector potential [step 1] 1.000000000000000e+01 1.000000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Vector potential [step 5] (libxc5) 9.928666877204112e+00 9.928666877230210e+00 4.960000000000000e-13 -2.609823468446848e-11 FAIL
Vector potential [step 10] (libxc5) 9.721533213110680e+00 9.721533213344554e+00 9.720000000000000e-14 -2.338733651185976e-10 FAIL
Vector potential [step 15] (libxc5) 9.393406286059401e+00 9.393406286839873e+00 9.390000000000000e-14 -7.804725754567698e-10 FAIL
Vector potential [step 20] (libxc5) 8.957517422220878e+00 8.957517424000001e+00 4.480000000000000e-08 -1.779122626999197e-09 PASS
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