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<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="">I wish your wait won’t be long, but, please, be advised that this forum is not a commercial service and that there are no guarantees on the response time, not even on the correctness of the replies. All I can say is that the older is the QE version the users utilise, the less likely it is that they can obtain a timely and meaningful answer. Best wishes — Stefano Baroni<div class=""><br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 24 Feb 2022, at 08:11, Mayuri Bora <<a href="mailto:mayu219@tezu.ernet.in" class="">mayu219@tezu.ernet.in</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class="">I am waiting for the reply.<br class=""><br class=""><br class=""><blockquote type="cite" class="">Dear QE users,<br class=""><br class="">I am trying to calculate the PWCOND calculation in semiconductor trilayer<br class="">systems QE-5.2.0 with 36 no. of atoms in the unit cell for 9 9 1 k points.<br class="">After few minutes of calculation it gives an error as follows<br class=""><br class=""><br class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class=""> Error in routine four (1):<br class=""> ls not programmed<br class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class=""><br class=""> stopping ...<br class=""><br class="">I will be thankful for the help.<br class=""><br class="">regards<br class="">Mayuri<br class=""><br class=""><br class=""><br class="">Mayuri Bora<br class="">INSPIRE Fellow<br class="">Advanced Functional Material Laboratory<br class="">Tezpur University<br class="">Napaam<br class=""><a href="http://www.tezu.ernet.in/afml/" class="">http://www.tezu.ernet.in/afml/</a><br class=""><br class=""><br class="">* * * D I S C L A I M E R * * *<br class="">This e-mail may contain privileged information and is intended solely for<br class="">the individual named. If you are not the named addressee you should not<br class="">disseminate, distribute or copy this e-mail. Please notify the sender<br class="">immediately by e-mail if you have received this e-mail in error and<br class="">destroy it from your system. Though considerable effort has been made to<br class="">deliver error free e-mail messages but it can not be guaranteed to be<br class="">secure or error-free as information could be intercepted, corrupted, lost,<br class="">destroyed, delayed, or may contain viruses. The recipient must verify the<br class="">integrity of this e-mail message.<br class=""><br class=""></blockquote><br class=""><br class="">Mayuri Bora<br class="">INSPIRE Fellow<br class="">Advanced Functional Material Laboratory<br class="">Tezpur University<br class="">Napaam<br class=""><a href="http://www.tezu.ernet.in/afml/" class="">http://www.tezu.ernet.in/afml/</a><br class=""><br class=""><br class="">* * * D I S C L A I M E R * * *<br class="">This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail in error and destroy it from your system. Though considerable effort has been made to deliver error free e-mail messages but it can not be guaranteed to be secure or error-free as information could be intercepted, corrupted, lost, destroyed, delayed, or may contain viruses. The recipient must verify the integrity of this e-mail message.<br class="">_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (www.max-centre.eu)<br class="">users mailing list users@lists.quantum-espresso.org<br class="">https://lists.quantum-espresso.org/mailman/listinfo/users<br class=""></div></div></blockquote></div><br class=""><div class="">
<span class="Apple-style-span" style="border-collapse: separate; 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: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><div class=""><span class="Apple-style-span" style="border-collapse: separate; 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: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><span class="Apple-style-span" style="border-collapse: separate; 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: 2; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><span style="font-size: 12px;" class="">— </span></div><div style="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="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="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><div style="margin: 0px;" class=""><font class="Apple-style-span"><span style="font-size: 12px;" class="">Stefano Baroni - Trieste — </span><a href="http://stefano.baroni.me" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-stroke-width: 0px;" class="">http://stefano.baroni.me</a><span style="font-size: 12px;" class=""> </span></font></div></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-decorations-in-effect: none; -webkit-text-stroke-width: 0px;" class=""><br class=""></div></div></div></div></div></div></div></span></span></div></div></div></span><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">
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