Input 02-xc_2d.gga_b88.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss-serial-min: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
GGA 2D B88 eigenvalue 1 up (libxc5) 7.582170000000000e-01 7.582170000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 eigenvalue 2 up (libxc5) 9.341450000000000e-01 9.341450000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 eigenvalue 1 dn 1.169397000000000e+00 1.169397000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 eigenvalue 2 dn 1.224726000000000e+00 1.224726000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 Exchange (libxc5) -6.547465600000000e-01 -6.547465600000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 Int[n*v_xc] (libxc5) -9.617432200000000e-01 -9.617432100000000e-01 1.000000000000000e-04 -1.000000005024759e-08 PASS
Compare to other inputs