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Author and contact information
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Lars Bruno Hansen
lhansen@fysik.dtu.dk
August 2002

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Introductory information
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PW91 pseudo-potential for N, with 5 valence electrons.  
The pseudopotential have been genearted using 2 s and  2 p non-local projectors 
and include nonlinear core correction, with rc = 0.6a0. 
 
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Intended environment
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Should be of generel use.

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Summary of atomic transferability tests
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N_test_1.out: COMP: comparison of all-electron and pseudo eigenvalues (Ry)
N_test_1.out:COMP:   nlm    all-elec      pseudo        diff
N_test_1.out:COMP:   200   -2.404450   -2.403943   -0.000507
N_test_1.out:COMP:   210   -1.541577   -1.540296   -0.001281

N_test_2.out:COMP:   nlm    all-elec      pseudo        diff
N_test_2.out:COMP:   200   -1.399508   -1.399760    0.000251
N_test_2.out:COMP:   210   -0.556759   -0.556548   -0.000211

N_test_3.out:COMP:   nlm    all-elec      pseudo        diff
N_test_3.out:COMP:   200   -2.388358   -2.388090   -0.000268
N_test_3.out:COMP:   210   -1.527663   -1.528253    0.000590


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Solid-state tests
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Dimer test: (BE: molecular binding energy/per molecule eV)
Name          Ecut (Ryd) e0(eV)       BE     hw (1/cm)   M (Bohr magn.)
N_us_cc_7.3.4   24      -554.3195  -9.9761  2495.278   0.000
N_us_cc_7.3.4   28      -554.3867  -9.9683  2492.691   0.000


See 
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/N/PW91/N_us_cc_7.3.4.pseudo.html

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Miscellaneous
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See 
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/N/PW91/N_us_cc_7.3.4.pseudo.html
