Input 03-xc.sic_pz.inp

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
OEP SIC Eigenvalue up -9.503860000000000e-01 -1.196074000000000e+00 5.980000000000000e-06 2.456880000000001e-01 FAIL
OEP SIC Eigenvalue dn -5.996890000000000e-01 -9.024380000000000e-01 4.510000000000000e-05 3.027489999999999e-01 FAIL
OEP SIC Exchange 0.000000000000000e+00 -3.236058600000000e-01 1.950000000000000e-05 3.236058600000000e-01 FAIL
OEP SIC Correlation 0.000000000000000e+00 -1.372682000000000e-02 2.860000000000000e-07 1.372682000000000e-02 FAIL
OEP SIC Int[n*v_xc] 0.000000000000000e+00 -6.034819300000001e-01 2.740000000000000e-05 6.034819300000001e-01 FAIL
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