Input 03-xc.gga_xc_xlyp.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_xc_xlyp Eigenvalue up -9.855050000000000e-01 -9.855450000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_xc_xlyp Eigenvalue dn -8.601040000000000e-01 -8.601420000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_xc_xlyp Correlation -3.350533200000000e-01 -3.350570800000000e-01 4.140000000000000e-06 3.760000000019303e-06 PASS
gga_xc_xlyp Int[n*v_xc] -4.265947600000000e-01 -4.265995350000000e-01 5.250000000000000e-06 4.775000000012408e-06 PASS
Compare to other inputs