Input 03-xc.gga_x_pbea.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_min

Matches

Name Value Reference Precision Difference Status
gga_x_pbea Eigenvalue up -9.648260000000000e-01 -9.647865000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_pbea Eigenvalue dn -8.113300000000000e-01 -8.112925000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_pbea Exchange -3.120151000000000e-01 -3.120116200000000e-01 3.840000000000000e-06 -3.480000000000150e-06 PASS
gga_x_pbea Int[n*v_xc] -4.002272900000000e-01 -4.002229500000000e-01 4.800000000000000e-06 -4.340000000047084e-06 PASS
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