Input 03-xc.gga_x_pbe_sol.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_sol Eigenvalue up -9.533770000000000e-01 -9.534170000000000e-01 4.400000000000000e-05 3.999999999992898e-05 PASS
gga_x_pbe_sol Eigenvalue dn -8.020880000000000e-01 -8.021245000000000e-01 4.010000000000000e-05 3.649999999999487e-05 PASS
gga_x_pbe_sol Exchange -3.026280500000000e-01 -3.026313600000000e-01 3.640000000000000e-06 3.310000000034119e-06 PASS
gga_x_pbe_sol Int[n*v_xc] -3.892896300000000e-01 -3.892937500000000e-01 4.540000000000000e-06 4.119999999996349e-06 PASS
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