Input 03-xc.gga_x_pw86.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_pw86 Eigenvalue up -9.580390000000000e-01 -9.731150000000000e-01 4.400000000000000e-05 1.507599999999998e-02 FAIL
gga_x_pw86 Eigenvalue dn -4.864720000000000e-01 -8.214764999999999e-01 4.230000000000000e-05 3.350044999999999e-01 FAIL
gga_x_pw86 Exchange 0.000000000000000e+00 -3.223429850000000e-01 4.130000000000000e-06 3.223429850000000e-01 FAIL
gga_x_pw86 Int[n*v_xc] 0.000000000000000e+00 -4.089226650000000e-01 5.100000000000000e-06 4.089226650000000e-01 FAIL
Compare to other inputs