Input 02-xc_2d.gga_b86_mgc.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
GGA 2D B86 MGC eigenvalue 1 up (libxc5) 7.612770000000000e-01 7.612770000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B86 MGC eigenvalue 2 up (libxc5) 9.398910000000000e-01 9.398910000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B86 MGC eigenvalue 1 dn 1.169397000000000e+00 1.169397000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B86 MGC eigenvalue 2 dn 1.224726000000000e+00 1.224726000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B86 MGC Exchange (libxc5) -6.454382200000000e-01 -6.454382100000000e-01 1.000000000000000e-04 -9.999999939225290e-09 PASS
GGA 2D B86 MGC Int[n*v_xc] (libxc5) -9.529358900000000e-01 -9.529358700000000e-01 1.000000000000000e-04 -1.999999998947288e-08 PASS
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