Input 03-xc.gga_x_pbe.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2022a_serial_min

Matches

Name Value Reference Precision Difference Status
gga_x_pbe Eigenvalue up -9.680810000000000e-01 -9.680415000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_pbe Eigenvalue dn -8.161450000000000e-01 -8.161070000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_pbe Exchange -3.168007700000000e-01 -3.167971900000000e-01 3.950000000000000e-06 -3.580000000003025e-06 PASS
gga_x_pbe Int[n*v_xc] -4.037942600000000e-01 -4.037898600000000e-01 4.860000000000000e-06 -4.400000000015503e-06 PASS
Compare to other inputs