next up previous contents
Next: NQL, DELQL tags Up: TAGS for the fourpot3 Previous: ICORE, RCLOC tags   Contents

MD, NFFT tags

\begin{eqnarray*}
MD &=& \mbox{number of points for gauss integration } \\
NFFT &=& \mbox{number of points for FFT} \\
\end{eqnarray*}



NFFT sets the number of points for the FFT of the local potential and the charge densities. Default is 32768, and must not be changed except for testing the accuracy.

MD supplies the number of points for a gauss integration used in certain parts of the code. Default is 64, and must not be changed except for testing the accuracy. The next smaller possible value is 48.



Georg Kresse
2009-04-23