------------------------------
Author and contact information
------------------------------

Lars Bruno Hansen
lhansen@fysik.dtu.dk
August 2002

------------------------
Introductory information
------------------------

LDA Ceperley-Alder  normconserving pseudo-potential for Na, 
with 1 valence electrons. 
The pseudopotential have been generated using  1 s and 1 p 
nonlocal projectors and include nonlinear core correction. 
 
--------------------
Intended environment
--------------------

Not including 2p semicore electrons limits the accuracy. 

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Summary of atomic transferability tests
---------------------------------------

Ground-state: 
          orbital          occupation          energy
           100                   2.00             -75.71840
           200                   2.00              -4.29323
           210                   6.00              -2.27110
           300                   0.60              -0.30428
           310                   0.10              -0.13443
           320                   0.10              -0.03175


na_test_1.out:    nlm    all-elec      pseudo        diff
na_test_1.out:    300   -0.243076   -0.243409    0.000334
na_test_1.out:    310   -0.087281   -0.087358    0.000076

na_test_2.out:    nlm    all-elec      pseudo        diff
na_test_2.out:    300   -0.207451   -0.208805    0.001353
na_test_2.out:    310   -0.056906   -0.057284    0.000378


-----------------
Solid-state tests
-----------------

6 Ryd: 
Crystal    a0       E (eV)
FCC      5.0706   -16.3081
BCC      4.0248   -16.3070

10 Ryd:
Crystal    a0       E (eV)
FCC      5.0649   -16.3303
BCC      4.0151   -16.3308

For more information see also 
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/Na/PZ/Na_lda_tm_7.3.4.pseudo

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Miscellaneous
-------------

See 
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/Na/PZ/Na_lda_tm_7.3.4.pseudo
