Input 03-xc.gga_x_ft97_a.inp

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

Matches

Name Value Reference Precision Difference Status
gga_x_ft97_a Eigenvalue up -9.556789999999999e-01 -9.722925000000000e-01 4.340000000000000e-05 1.661350000000006e-02 FAIL
gga_x_ft97_a Eigenvalue dn -4.864720000000000e-01 -8.267570000000000e-01 4.180000000000000e-05 3.402849999999999e-01 FAIL
gga_x_ft97_a Exchange 0.000000000000000e+00 -3.290325100000000e-01 4.170000000000000e-06 3.290325100000000e-01 FAIL
gga_x_ft97_a Int[n*v_xc] 0.000000000000000e+00 -4.093207200000000e-01 4.930000000000000e-06 4.093207200000000e-01 FAIL
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