<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"><meta http-equiv="Content-Type" content="text/html charset=us-ascii"><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">NO - it does not matter.<div>Exercise: explain why.</div><div>Take care - SB</div><div><br><div><div>On Feb 23, 2013, at 8:55 PM, Ben Palmer <<a href="mailto:benpalmer1983@gmail.com">benpalmer1983@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Hi everyone,<br><br>I just wanted to ask if users have any techniques for choosing ecut and <br>k-points? I've read that one way would be to start with a high number <br>of k-points and high energy cutoff, and use that energy as an almost <br>true value. Then adjust k-points and energy cutoff from a lower <br>number/cutoff until it converges to the true value. Would you try to <br>converge energy cutoff first, or k-points? Does it matter which you <br>converge first?<br><br>Thanks<br><br>Ben Palmer<br>Student @ University of Birmingham<br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><div apple-content-edited="true">
<div style="orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; -webkit-text-stroke-width: 0px; -webkit-text-size-adjust: auto; word-spacing: 0px; white-space: normal; text-transform: none; line-height: normal; letter-spacing: normal; font-weight: normal; font-variant: normal; font-style: normal; font-family: Helvetica; color: rgb(0, 0, 0); font-size: medium; "><div style="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: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="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: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="margin: 0px; "><div style="margin: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">---</span></font></div><div style="margin: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Stefano Baroni - </span></font><span class="Apple-style-span" style="font-size: 12px; "><a href="http://stefano.baroni.me/">http://stefano.baroni.me</a>, </span><span class="Apple-style-span" style="font-size: 12px; ">stefanobaroni (skype)</span></div><div style="margin: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">on leave of absence from SISSA, Trieste, </span></font><span class="Apple-style-span" style="font-size: 12px; ">presently at the Department of Materials, EPF Lausanne (until March 2013)</span></div><div style="margin: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "><br></span></font></div></div></div></span></span></div></span></span></div></span><span class="Apple-style-span" style="font-size: 12px; ">I believe in the despotism of human life and happiness against the liberty of money and possessions [John Steinbeck]</span></div></div></div>
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