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<span class="smartReply elementToProof">Got it, thank you<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De :</b> Paolo Giannozzi <paolo.giannozzi@uniud.it><br>
<b>Envoyé :</b> vendredi 20 janvier 2023 20:26<br>
<b>À :</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org>; NM SALMA <rose-marron2008@hotmail.fr><br>
<b>Objet :</b> Re: [QE-users] How to generate Γ-centered k-point grid ?</font>
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<div class="PlainText">There is an auxiliary code "kpoints.x" that generates k-points grids<br>
<br>
Paolo<br>
<br>
On 18/01/2023 14:34, NM SALMA wrote:<br>
> <br>
> You don't often get email from rose-marron2008@hotmail.fr. Learn why <br>
> this is important <<a href="https://aka.ms/LearnAboutSenderIdentification">https://aka.ms/LearnAboutSenderIdentification</a>><br>
> <br>
> <br>
> <br>
> ------------------------------------------------------------------------<br>
> *De :* NM SALMA<br>
> *Envoyé :* mercredi 18 janvier 2023 13:22<br>
> *À :* users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
> *Objet :* How to generate Γ-centered k-point grid ?<br>
> I am doing an exercise to calculate silicon crystal mobility using <br>
> quantum ESPRESSO (I found this exercice in one of Quantum ESPRESSO`s <br>
> tutorials in 2018. It`s the exercice number 2 in the attached file (step <br>
> 5)).<br>
> <br>
> I'm in a step where i should do a non self-consistent calculation on a <br>
> 6x6x6 uniform and Γ-centered k-point grid with crystal coordinates in <br>
> the interval [0,1[.<br>
> <br>
> But i don't know how to generate this grid. Can anyone help me please (I <br>
> didn't find any tutorial about how to that in the web)?<br>
> <br>
> I want to know also why they chose the interval [0,1[ ?<br>
> <br>
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<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216<br>
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