<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Most likely because they are exceedingly large. are you sure that your system is an insulator? (both in Nature and in DFT!) — Stefano<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 10 Aug 2018, at 15:58, Chandler Bennett <<a href="mailto:mcbennet@ncsu.edu" class="">mcbennet@ncsu.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">I am attempting to run ph.x on a converged scf calculation (geometry taken from a converged vc-relax run).</div><div class=""><br class=""></div><div class="">However, for the dielectric tensor, I see the following</div><div class=""><br class=""></div><div class="">************************ 1.615397406741 -0.000000000000<br class=""> 1.211548055056************************ -0.000000000139<br class=""> 0.000000000121 0.000000000209 291.291652303297<br class=""></div><div class=""><br class=""></div><div class="">Can someone help me understand why some of the matrix elements are not being printed correctly?<br class=""></div><div class=""><br class=""> </div><div class=""><br class="">-- <br class=""><div dir="ltr" class="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><span style="font-weight:800" class=""><br class=""></span></div><font style="font-weight:bold" size="4" class="">Chandler Bennett</font><div class="">NCSU Department of Physics<br class=""></div><div class="">Partners III Building, Rm 133</div><div class="">Phone: (919) 291-6597</div><div class=""><div class=""><div class=""><div class=""><a href="mailto:mcbennet@ncsu.edu" target="_blank" class="">mcbennet@ncsu.edu</a></div><div class=""><br class=""></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="orphans: auto; text-align: start; text-indent: 0px; widows: auto; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="font-variant-ligatures: normal; font-variant-position: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; widows: auto; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="orphans: 2; widows: 2; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><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;" class=""><span class="Apple-style-span" style="border-collapse: separate; text-align: -webkit-auto; 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;" class=""><div style="margin: 0px;" class=""><div style="margin: 0px;" class=""><font class="Apple-style-span"><span style="font-size: 12px;" class="">— </span></font></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; margin: 0px;" class=""><span class="Apple-style-span" style="font-size: 12px;">Stefano Baroni - </span><span style="font-size: 12px;" class=""> SISSA, Trieste - </span><span class="Apple-style-span" style="font-size: 12px;"><a href="http://stefano.baroni.me/" class="">http://stefano.baroni.me</a>, </span><span style="font-size: 12px;" class="">stefanobaroni (Skype) </span></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; margin: 0px;" class=""><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px;"><br class=""></span></font></div></div></div></span></span></div></span></span></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><span style="color: rgb(0, 0, 0); font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: rgba(255, 255, 255, 0); font-size: 12px;" class="">And aren’t we all tired of those who claim to know the answer to life, death and the creation being so […] sensitive about their knowledge? [Stephen Fry]</span><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><span style="background-color: rgba(255, 255, 255, 0);" class=""><br class=""></span></div><br class="Apple-interchange-newline"></div></div></div><br class="Apple-interchange-newline" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-position: normal; font-variant-caps: normal; font-variant-numeric: normal; font-variant-alternates: normal; font-variant-east-asian: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;"><br class="Apple-interchange-newline"></div></div>
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