Input 03-xc.gga_x_mpw91.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_mpw91 Eigenvalue up -9.707730000000000e-01 -9.707330000000001e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_mpw91 Eigenvalue dn -8.189620000000000e-01 -8.189245000000001e-01 4.120000000000000e-05 -3.749999999991260e-05 PASS
gga_x_mpw91 Exchange -3.203730600000000e-01 -3.203694350000000e-01 3.990000000000000e-06 -3.625000000007095e-06 PASS
gga_x_mpw91 Int[n*v_xc] -4.065108400000000e-01 -4.065063800000000e-01 4.890000000000000e-06 -4.459999999983921e-06 PASS
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