Input 02-xc_2d.gga_pbe.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-parallel-debug: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
GGA 2D PBE eigenvalue 1 up 7.527960000000000e-01 7.527960000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D PBE eigenvalue 2 up 9.233450000000000e-01 9.233450000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D PBE eigenvalue 1 dn 1.169397000000000e+00 1.169397000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D PBE eigenvalue 2 dn 1.224726000000000e+00 1.224726000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D PBE Exchange -6.702274400000000e-01 -6.702278900000000e-01 1.000000000000000e-04 4.500000000406956e-07 PASS
GGA 2D PBE Int[n*v_xc] -9.779637900000000e-01 -9.779640600000000e-01 1.000000000000000e-04 2.700000000244174e-07 PASS
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