This directory contains a few examples of all-electron inputs.
The output are in the directory "reference/". Input data:

ar.in      Non-relativistic, sic correction,  LDA                     [1]
cu.in      Non-relativistic, Hartree calculation, no exchange         [2]
cu1.in     Dirac relativistic, latter correction, as in the HS tables [2,3]
c_oep.in   Non-relativistic, Optimized Effective Potential, spin-pol.
f.in       Scalar relativistic, sic correction, LDA
fe.in      Dirac-relativistic, Hartree calculation, no exchange       [3,4]
h.in       Non-relativistic, sic correction,  sigma-GGA (PW91)
he.in      Non-relativistic, sic correction,  sigma-GGA (PBE)
mg.in      Dirac relativistic, latter correction
ne_oep.in  Non-relativistic, Optimized Effective Potential, no spin
pt.in      Dirac relativistic, latter correction                      [3]
u1.in      Dirac relativistic, latter correction                      [3]
u.in       Dirac relativistic, sic correction, PBE
w.in       Dirac relativistic, latter correction                      [3]

The script test.job runs ld1.x on these examples, writes the outputs
into directory "results/", compares them with reference outputs and
writes the differences between these files into file "difference".

References:

[1] J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).

[2] F. Herman and S. Skillman, Atomic structure calculations, (Prentice Hall,
1963) pag. 1-9 (To obtain these results set rel=0 in these inputs).

[3] D. Liberman, J.T. Waber, and Don T. Cromer, Phys. Rev. 137, A27 (1965).

[4] S. Cohen, Phys. Rev. 118, 489 (1960).
