Input 03-xc.gga_xc_pbe1w.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_xc_pbe1w Eigenvalue up -9.898190000000000e-01 -9.897790000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_xc_pbe1w Eigenvalue dn -8.640580000000000e-01 -8.640200000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_xc_pbe1w Correlation -3.376202900000000e-01 -3.376165050000000e-01 4.160000000000000e-06 -3.785000000033900e-06 PASS
gga_xc_pbe1w Int[n*v_xc] -4.307674700000000e-01 -4.307628100000000e-01 5.130000000000000e-06 -4.659999999989672e-06 PASS
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