Input 03-xc.gga_x_ft97_a.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_ft97_a Eigenvalue up -9.722530000000000e-01 -9.722925000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_ft97_a Eigenvalue dn -8.267190000000000e-01 -8.267570000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_x_ft97_a Exchange -3.290287200000000e-01 -3.290325100000000e-01 4.170000000000000e-06 3.790000000003513e-06 PASS
gga_x_ft97_a Int[n*v_xc] -4.093162400000000e-01 -4.093207200000000e-01 4.930000000000000e-06 4.479999999973394e-06 PASS
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