Input 03-xc.gga_x_b86_mgc.inp

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

Matches

Name Value Reference Precision Difference Status
gga_x_b86_mgc Eigenvalue up -9.711620000000000e-01 -9.711220000000000e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_b86_mgc Eigenvalue dn -8.191560000000000e-01 -8.191180000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_b86_mgc Exchange -3.202742400000000e-01 -3.202705900000000e-01 4.010000000000000e-06 -3.649999999966180e-06 PASS
gga_x_b86_mgc Int[n*v_xc] -4.068609600000000e-01 -4.068564700000000e-01 4.930000000000000e-06 -4.489999999968131e-06 PASS
Compare to other inputs