[Pw_forum] scf exit without error messag

Sakhrawi Taoufek tsakhrawi at yahoo.com
Wed Jun 26 15:41:34 CEST 2013


Dear all, 

I do self consistent calculation for fr relaxed structur, after few minutes the it stops without printing  any error message.
i do not understand what's happened

*.scf.out
===================================================  

   Program PWSCF v.5.0.1 starts on 26Jun2013 at 15:19:34

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote.php
..
..    

       Largest allocated arrays     est. size (Mb)     dimensions
        Kohn-Sham Wavefunctions         1.14 Mb     (   1068,   70)
        NL pseudopotentials             3.00 Mb     (   1068,  184)
        Each V/rho on FFT grid          1.87 Mb     (  61200,   2)
        Each G-vector array             0.23 Mb     (  30679)
        G-vector shells                 0.11 Mb     (  14089)
     Largest temporary arrays     est. size (Mb)     dimensions
        Auxiliary wavefunctions         4.56 Mb     (   1068,  280)
        Each subspace H/S matrix        1.20 Mb     ( 280, 280)
        Each <psi_i|beta_j> matrix      0.20 Mb     (    184,   70)
        Arrays for rho mixing           7.47 Mb     (  61200,   8)
====================================================

 thanks 

======================================================
Sakhraoui Taoufik PhD Student

Laboratoire de la matière condesée et des nanosciences
Faculté des sciences de Monastir,
Avenue de l'environnement, 5019 Monastir Tunisie
Phone: +33 7 53038251 || +216 96 173 454
E-mail: tsakhrawi at yahoo.com
====================================================== 
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