<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Raja,<div><br><div><div>On 5 Jun 2008, at 11:20, Raja 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">I have tried to give the hexagonal lattice as A,B,C values but am</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">getting an error " Not ortho and not periodic". I would appriciate any</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">help in this regard also if you have a sample input file that would be</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">great.</font></p> </blockquote></div><br></div><div>that's exactly the point.. decouplings are not implemented for non-orthorombic cells..</div><div>You can still use non-orthorombic cells for fully periodic calculations.</div><div><br class="webkit-block-placeholder"></div><div>Cheers</div><div>Teo</div><div><br class="webkit-block-placeholder"></div></body></html>