Input 03-xc.gga_x_mpbe.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_x_mpbe Eigenvalue up -9.694199999999999e-01 -9.694594999999999e-01 4.350000000000000e-05 3.949999999997011e-05 PASS
gga_x_mpbe Eigenvalue dn -8.182170000000000e-01 -8.182545000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_x_mpbe Exchange -3.188809500000000e-01 -3.188845950000000e-01 4.000000000000000e-06 3.644999999996568e-06 PASS
gga_x_mpbe Int[n*v_xc] -4.053494200000000e-01 -4.053538900000000e-01 4.890000000000000e-06 4.469999999978658e-06 PASS
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