<html><body><div style="color:#000; background-color:#fff; font-family:garamond, new york, times, serif;font-size:14pt"><div>Dear all, <br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">I do self consistent calculation for fr relaxed structur, after few minutes the it stops without printing any error message.</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">i do not understand what's happened</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">*.scf.out</div><div
style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">=================================================== <br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"> Program PWSCF v.5.0.1 starts on 26Jun2013 at 15:19:34<br><br> This program is part of the open-source Quantum ESPRESSO suite<br> for quantum simulation of materials; please cite<br> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br> URL http://www.quantum-espresso.org",<br> in publications or presentations arising from this work. More details at<br>
http://www.quantum-espresso.org/quote.php<br>..</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">.. <br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"> Largest allocated arrays est. size (Mb) dimensions<br> Kohn-Sham Wavefunctions 1.14 Mb ( 1068, 70)<br> NL pseudopotentials 3.00 Mb ( 1068, 184)<br> Each V/rho
on FFT grid 1.87 Mb ( 61200, 2)<br> Each G-vector array 0.23 Mb ( 30679)<br> G-vector shells 0.11 Mb ( 14089)<br> Largest temporary arrays est. size (Mb) dimensions<br> Auxiliary wavefunctions 4.56 Mb ( 1068, 280)<br> Each subspace H/S matrix 1.20
Mb ( 280, 280)<br> Each <psi_i|beta_j> matrix 0.20 Mb ( 184, 70)<br> Arrays for rho mixing 7.47 Mb ( 61200, 8)</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">====================================================<br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"> thanks </div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style:
normal;"><br></div><div><span style="color:rgb(255, 0, 255);"><font size="4"><span style="color:rgb(139, 139, 139);"><span><span><span style="font-family:times new roman, new york, times, serif;font-style:italic;font-weight:bold;"><span style="text-decoration:underline;">======================================================</span><br><span style="background-color:rgb(192, 255, 128);"><span style="color:rgb(0, 0, 0);"><span>Sakhraoui
Taoufik</span></span></span></span></span></span></span> </font><span style="color:rgb(0, 0, 0);"><font style="font-style:italic;" size="3">PhD Student</font><br></span></span><br><span style="color:rgb(255, 0, 255);"><span style="color:rgb(0, 0, 0);"><span style="font-style:italic;"><span style="color:rgb(255, 0, 255);"><span style="color:rgb(0, 0, 0);"><span style="font-style:italic;">Laboratoire de la matière condesée et des nanosciences<br></span></span></span>Faculté des sciences de Monastir,<br>Avenue de l'environnement, 5019 Monastir Tunisie</span></span><br></span></div><font style="color:rgb(0, 0, 0);" size="2"><span style="font-style:italic;font-family:arial, helvetica, sans-serif;"></span><span style="font-family:arial, helvetica, sans-serif;">Phone: +33 <font size="2">7 53038251 || +216 96 173 454</font></span></font><br>E-mail: <span style="color:rgb(0, 0, 191);text-decoration:underline;">tsakhrawi@yahoo.com</span><span
style="color:rgb(0, 0, 191);text-decoration:underline;"><br></span><span style="color:rgb(115, 115, 115);"><span><font size="4"><span><span style="font-family:times new roman, new york, times, serif;font-style:italic;font-weight:bold;"><span style="text-decoration:underline;">======================================================</span></span></span></font></span></span><div style="color: rgb(115, 115, 115); font-size: 18px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: italic;"><font color="#0021bf" face="Roman" size="4"><b><i><u></u></i></b></font><font face="Roman" size="3">
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