<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Shapt,<div><br></div><div> I'm sorry, but your problem is far from clear to me.</div><div><br><div><div>Il giorno 25/mag/10, alle ore 19:32, Shaptrishi Sharma ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite">Hi all,<br><br>I would like to converge my system but I acn se that if I vary a single parameter also there is a huge variation in result. </blockquote><div><br></div><div>Of course if you change a parameter of the calculation, for instance the lattice constant of a bulk system, you could see huge variations of the total energy. </div><div>That said, it depends on which parameter you are speaking of.</div><br><blockquote type="cite">For example, when I kept the cell _parameter as <br>1 0 0<br>1 1.5 0<br>1 0 1.5<br> <br>the total energy seems to change from 0.087 eV to 0.601 eV . </blockquote><div><br></div><div>And so, what are you changing? And how? </div><div><br></div><div>Please try to be more clear and provide some sample of the input file you are using, just to understand if we are speaking of apples or bananas...</div><div><br></div><div><br></div><div>Regards,</div><div><br></div><div><br></div><div>GS</div><br><blockquote type="cite">Can anybody please advice me ?</blockquote><blockquote type="cite"><br>Thanks <br><br>Shapt<br><br>Pune University<br>Pune<br>India<br> _______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></blockquote></div><br><div> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div></span> </div><br></div></body></html>