Input 03-xc.gga_x_ft97_a.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_mpi_debug_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_ft97_a Eigenvalue up -9.723320000000000e-01 -9.722925000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_ft97_a Eigenvalue dn -8.267949999999999e-01 -8.267570000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_ft97_a Exchange -3.290363100000000e-01 -3.290325100000000e-01 4.170000000000000e-06 -3.799999999998249e-06 PASS
gga_x_ft97_a Int[n*v_xc] -4.093252000000000e-01 -4.093207200000000e-01 4.930000000000000e-06 -4.480000000028905e-06 PASS
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