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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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Perdew-Wang 91 GGA pseudo-potential for V, including 2s and 2p semicore electrons (13 valence electrons). 
The pseudopotential have been genearted using 2 s, 2 p and 2 d nonlocal projectors, 
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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V_test_1.out:   comparison of all-electron and pseudo eigenvalues (Ry)
V_test_1.out:    nlm    all-elec      pseudo        diff
V_test_1.out:    300   -6.153741   -6.157144    0.003403
V_test_1.out:    310   -4.214266   -4.217716    0.003451
V_test_1.out:    400   -0.924045   -0.924005   -0.000040
V_test_1.out:    320   -1.286176   -1.287677    0.001501

V_test_2.out:    nlm    all-elec      pseudo        diff
V_test_2.out:    300   -5.722294   -5.721678   -0.000615
V_test_2.out:    310   -3.800774   -3.800175   -0.000598
V_test_2.out:    400   -0.804763   -0.804787    0.000024
V_test_2.out:    320   -0.934463   -0.934262   -0.000202

V_test_3.out:    nlm    all-elec      pseudo        diff
V_test_3.out:    300   -5.011137   -5.010268   -0.000869
V_test_3.out:    310   -3.095152   -3.094277   -0.000875
V_test_3.out:    400   -0.314847   -0.314951    0.000104
V_test_3.out:    320   -0.269390   -0.269265   -0.000125


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

Name                     Ecut Sym    a0      e0       B       C44     C12     a01
V_us_pw91_13elec_7.3.4   19  FCC  3.8154  -1958.255  206.3   -27.2   299.8   3.714
V_us_pw91_13elec_7.3.4   19  BCC  2.9947  -1958.502  325.5   38.7    270.5   2.917

V_us_pw91_13elec_7.3.4   22  FCC  3.8147  -1958.402  177.7   -11.1   249.2   3.810
V_us_pw91_13elec_7.3.4   22  BCC  2.9935  -1958.651  174.5   18.0    132.6   2.989

Name           Sym     a0    e0      B      C44     C12     a01
FLAPW_PW91     BCC  2.9952  0.000   184.0   0.0     0.0     0.000


See 
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/V/PW91/V_us_pw91_13elec_7.3.4.pseudo.html

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Miscellaneous
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See 
http://www.fysik.dtu.dk/CAMPOS/Documentation/Dacapo/PseudoPotentialOverView/V/PW91/V_us_pw91_13elec_7.3.4.pseudo.html
