Input 03-xc.gga_x_am05.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]

Matches

Name Value Reference Precision Difference Status
gga_x_am05 Eigenvalue up -9.368880000000001e-01 -9.369275000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_am05 Eigenvalue dn -7.871760000000000e-01 -7.872120000000000e-01 3.960000000000000e-05 3.600000000003600e-05 PASS
gga_x_am05 Exchange -2.877441400000000e-01 -2.877471600000000e-01 3.320000000000000e-06 3.020000000020229e-06 PASS
gga_x_am05 Int[n*v_xc] -3.731162100000000e-01 -3.731200150000000e-01 4.190000000000000e-06 3.805000000023373e-06 PASS
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