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

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

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Introductory information
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PW91 pseudo-potential for C, 4 valence electrons. 
The pseudopotential has been generated using 2 s, 2 p (d local),  
and include nonlinear core correction. 
 
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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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C_ps.out:  comparison of all-electron and pseudo eigenvalues (Ry)
C_ps.out:   nlm    all-elec      pseudo        diff
C_ps.out:   200   -1.013156   -1.013156    0.000000
C_ps.out:   210   -0.392918   -0.392916   -0.000002

C_test_1.out:   nlm    all-elec      pseudo        diff
C_test_1.out:   200   -1.045646   -1.043973   -0.001673
C_test_1.out:   210   -0.423785   -0.424298    0.000514

C_test_2.out:   nlm    all-elec      pseudo        diff
C_test_2.out:   200   -1.896491   -1.898098    0.001607
C_test_2.out:   210   -1.255547   -1.247674   -0.007873

C_test_3.out:   nlm    all-elec      pseudo        diff
C_test_3.out:   200   -0.975207   -0.977232    0.002025
C_test_3.out:   210   -0.357437   -0.353832   -0.003605


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


Name           Ecut    Sym     a0      e0       
C_us_cc_7.3.4   19  Diamond  3.5758  -166.046   
C_us_cc_7.3.4   22  Diamond  3.5720  -166.091   


The two cutoff energies listed (Ryd) correspond to a total energy convergence of 
0.1eV and 0.01eV, respectively. 


See also
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/C/PW91/C_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/C/PW91/C_us_cc_7.3.4.pseudo.html
