Input 03-xc.gga_x_pbe_jsjr.inp

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_jsjr Eigenvalue up -9.579370000000000e-01 -9.579770000000001e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_pbe_jsjr Eigenvalue dn -8.066220000000000e-01 -8.066590000000000e-01 4.070000000000000e-05 3.700000000006476e-05 PASS
gga_x_pbe_jsjr Exchange -3.072045400000000e-01 -3.072079250000000e-01 3.750000000000000e-06 3.384999999966887e-06 PASS
gga_x_pbe_jsjr Int[n*v_xc] -3.938444700000000e-01 -3.938486600000000e-01 4.640000000000000e-06 4.190000000015015e-06 PASS
Compare to other inputs