Dear Sakhraoui Taoufik We do not understand too, with such a minimal information... Yours Giuseppe
On Wednesday 26 June 2013 15:41:34 Sakhrawi Taoufek wrote: > 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 mati?re condes?e et des nanosciences > Facult? 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 > ====================================================== ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it> ResearcherID: F-6308-2012