Input 03-xc.gga_x_optx.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_optx Eigenvalue up -9.753220000000000e-01 -9.753615000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_optx Eigenvalue dn -8.254250000000000e-01 -8.254625000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_x_optx Exchange -3.283216100000000e-01 -3.283253150000000e-01 4.080000000000000e-06 3.705000000020497e-06 PASS
gga_x_optx Int[n*v_xc] -4.115129500000000e-01 -4.115172800000000e-01 4.760000000000000e-06 4.329999999996836e-06 PASS
Compare to other inputs