possible typo in the NLCC_POTENTIALS file?

[S. Ling]

Hi

I was trying to convert several newly generated NLCC pseudopotentials 
(http://bigdft.org/Wiki/index.php?title=New_Soft-Accurate_NLCC_pseudopotentials) 
to CP2K format. From the NLCC_POTENTIALS file located in the $CP2K/data 
directory, it says:

c_core(CP2K) = 4Pi * (Z-Zion)/(SQRT(2Pi)*r_core)^3

However, I cannot get the c_core number included in the NLCC_POTENTIALS 
file using this equation (taking Al as an example). It looks to me the 
qcore parameter is missing from this equation? The correct equation should 
be written as:

c_core(CP2K) = *qcore ** 4Pi * (Z-Zion)/(SQRT(2Pi)*r_core)^3

which gives the correct c_core number included in the NLCC_POTENTIALS file.

Many thanks!

SL

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