Input 01-xc_1d.oep_kli.inp

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
OEP KLI Eigenvalue 1 up -9.577620000000000e-01 -9.577620000000000e-01 4.790000000000000e-05 0.000000000000000e+00 PASS
OEP KLI Eigenvalue 2 up -3.085220000000000e-01 -3.085220000000000e-01 1.540000000000000e-05 0.000000000000000e+00 PASS
OEP KLI Eigenvalue 1 dn -1.087476000000000e+00 -1.087475000000000e+00 5.440000000000000e-06 -1.000000000139778e-06 PASS
OEP KLI Eigenvalue 2 dn -2.571410000000000e-01 -2.571390000000000e-01 1.290000000000000e-05 -2.000000000002000e-06 PASS
OEP KLI Exchange -1.056060590000000e+00 -1.056060590000000e+00 5.280000000000000e-08 0.000000000000000e+00 PASS
OEP KLI Int[n*v_xc] -1.923917130000000e+00 -1.923917130000000e+00 9.620000000000000e-08 0.000000000000000e+00 PASS
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