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Specify definition of c_core value for NLCC

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svn-origin-rev: 15311
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Jürg Hutter 2015-05-12 07:03:42 +00:00
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data/NLCC_POTENTIALS
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@ -42,6 +42,10 @@
# quantum number l
# hprj_ppnl: Coefficients of the non-local projector functions
#
# Calculation of c_core from values given in A. Willand et al.
#
# c_core(CP2K) = 4Pi * (Z-Zion)/(SQRT(2Pi)*r_core)^3
#
################################################################################
#
# PBE functional