Input 03-xc.gga_x_mpbe.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_min_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_mpbe Eigenvalue up -9.694990000000000e-01 -9.694594999999999e-01 4.350000000000000e-05 -3.950000000008114e-05 PASS
gga_x_mpbe Eigenvalue dn -8.182920000000000e-01 -8.182545000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_mpbe Exchange -3.188882400000000e-01 -3.188845950000000e-01 4.000000000000000e-06 -3.644999999996568e-06 PASS
gga_x_mpbe Int[n*v_xc] -4.053583400000000e-01 -4.053538900000000e-01 4.890000000000000e-06 -4.449999999989185e-06 PASS
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