Input 03-xc.gga_x_pbe_r.inp

Commits > Commit 7674d3f014e9528d45a88358f14173f28daae041 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_r Eigenvalue up -9.720050000000000e-01 -9.720450000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_pbe_r Eigenvalue dn -8.228529999999999e-01 -8.228910000000000e-01 4.180000000000000e-05 3.800000000009351e-05 PASS
gga_x_pbe_r Exchange -3.239832900000000e-01 -3.239870300000000e-01 4.090000000000000e-06 3.740000000029831e-06 PASS
gga_x_pbe_r Int[n*v_xc] -4.083450000000000e-01 -4.083495100000000e-01 4.940000000000000e-06 4.509999999957603e-06 PASS
Compare to other inputs