<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">It's absolutely not difficulty and this is the same topic we were discussing some time ago with Axel.<DIV>It will be in cp2k in the future but hard to say when.. will keep you updated.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Teo</DIV><DIV><BR><DIV><DIV>On 31 Oct 2007, at 18:34, lmliu wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; ">Considering MM has been well implanted in CP2K, it should be not difficult to add an empirical formula of an<SPAN class="Apple-converted-space"> </SPAN><I style="font-style: italic; "><SPAN class="Apple-style-span" style="font-style: italic; ">R</SPAN></I><SUP style="font-size: 10px; "><SPAN class="Apple-style-span" style="font-size: 10px; ">–6</SPAN></SUP><SPAN class="Apple-converted-space"> </SPAN>term.<SPAN class="Apple-converted-space"> </SPAN></SPAN></BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>