<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Unless you don't do isolated system the pseudo that Fawzi is mentioning are totally unusable for cp2k.<DIV>The calculation becomes incredibly expensive due to the non-local part of the PP.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>teo<DIV><BR><DIV><DIV>On 31 Oct 2007, at 18:14, Fawzi Mohamed 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">the way cp2k handles the pseudo, maybe someone more familiar with it <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">can comment.</FONT></P> </BLOCKQUOTE></DIV><BR></DIV></DIV></BODY></HTML>