Input 03-xc.gga_x_ft97_b.inp

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

Matches

Name Value Reference Precision Difference Status
gga_x_ft97_b Eigenvalue up -9.720500000000000e-01 -9.720900000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_ft97_b Eigenvalue dn -8.265090000000000e-01 -8.265470000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_x_ft97_b Exchange -3.288196500000000e-01 -3.288234400000000e-01 4.170000000000000e-06 3.790000000003513e-06 PASS
gga_x_ft97_b Int[n*v_xc] -4.091122500000000e-01 -4.091167250000000e-01 4.920000000000000e-06 4.475000000003782e-06 PASS
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