Input 03-xc.gga_x_optb88_vdw.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_optb88_vdw Eigenvalue up -9.635460000000000e-01 -9.635860000000001e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_optb88_vdw Eigenvalue dn -8.122810000000000e-01 -8.123184999999999e-01 4.120000000000000e-05 3.749999999991260e-05 PASS
gga_x_optb88_vdw Exchange -3.141762400000000e-01 -3.141797550000000e-01 3.840000000000000e-06 3.515000000009483e-06 PASS
gga_x_optb88_vdw Int[n*v_xc] -3.994635700000000e-01 -3.994679000000000e-01 4.740000000000000e-06 4.329999999996836e-06 PASS
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