Input 03-xc.gga_x_wc.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_wc Eigenvalue up -9.615200000000000e-01 -9.614805000000000e-01 4.350000000000000e-05 -3.950000000008114e-05 PASS
gga_x_wc Eigenvalue dn -8.084620000000000e-01 -8.084249999999999e-01 4.070000000000000e-05 -3.700000000006476e-05 PASS
gga_x_wc Exchange -3.096181900000000e-01 -3.096147750000000e-01 3.760000000000000e-06 -3.415000000006607e-06 PASS
gga_x_wc Int[n*v_xc] -3.970087800000000e-01 -3.970044950000000e-01 4.700000000000000e-06 -4.284999999992767e-06 PASS
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