I would like to kindly thank Prof Gianozzi for giving me the solution for the problem. Indeed, providing suggested changes was the point. Now dynmat.x works fine even for few-hundred atomic unit cells, with the only limitation of using ASR=simple. Thank you!
Kacper Druzbicki, Faculty of Chemistry, Department of Chemical Physics, Jagiellonian University, Ingardena Street 3, 30-060 Cracow, Poland phone: +48 12 6632265 ----- Original Message ----- From: Paolo Giannozzi <[email protected]> Date: Thursday, December 1, 2011 10:06 am Subject: Re: [Pw_forum] dynmat.x - segmentation fault error To: PWSCF Forum <pw_forum at pwscf.org> > Try to replace routine set_asr in dynmat.f90 with the attached > version - no warranty > > P. > -- > Paolo Giannozzi, IOM-Democritos and University of Udine, Italy > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
