<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> Dear molecule,<div><br class="webkit-block-placeholder"></div><div>If you consider the gamma point sampling a numerical error.. well.. </div><div>guess there's not too much one can comment.. but be cautious to do </div><div>such claims in a more aggressive audience!</div><div><br class="webkit-block-placeholder"></div><div>Moreover, keep in mind that Juerg also mentioned the 1/r problem for </div><div>the exact exchange.. and since your cell is small.. I wonder.. do you consider </div><div>that a numerical problem as well?</div><div>Maybe you think that the whole story of long-range interactions is..</div><div>a numerical error? Eager to know your point of view..</div><div><br></div><div>cheers,</div><div>Lost_somewhere_with_more_than_6_hours_delay.</div><div> </div><div><div><div>On 18 Jul 2008, at 23:09, molecule wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">However, the behavior looks more like a bug rather than the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">numerical errors caused by \Gamma-only sampling and the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">minimum images.</font></p> </blockquote></div><br></div></body></html>