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NPACO and APACO-tag

\begin{eqnarray*}\vspace*{1mm}
NPACO & =& \mbox{number of slots for pair correla...
...\mbox{maximum distance for the evaluation of PC function
in \AA}
\end{eqnarray*}




Default
NPACO = 256
APACO = 16


VASP evaluates the pair-correlation (PC) function each NBLOCK steps and writes the PC-function after NBLOCK*KBLOCK steps to the file PCDAT.



Georg Kresse
2009-04-23