[Pw_forum] box grid in cp

[Paolo Giannozzi]

Just a comment about the "box grid": note that this is used for both 
the "augmentation charge" in Ultrasoft pseudopotentials, and for the
"core charge" used for the nonlinear core correction. All boxes are
of the same size, so the "larger" charge determines the minimum
size of the box.

References:  Phys. Rev. B 47, 10142 (1993); JCP 120, 5903 (2004)

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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