Thanks, Paolo. (Of course, I meant "self-consistent"). Maybe this ability could be a new "feature" in the next release of QE.
Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com ? ? -----Original Message----- From: pw_forum-admin at pwscf.org [mailto:[email protected]] On Behalf Of Paolo Giannozzi Sent: Tuesday, February 27, 2007 6:59 AM To: pw_forum at pwscf.org Subject: Re: [Pw_forum] Restarting ph.x from a successful run On Feb 26, 2007, at 22:48 , Paul M. Grant wrote: > Is there a way to ?continue,? or ?restart,? (not recover!) a > previous successfully completed ph.x run? E.g, to set a more > aggressive tr2_ph convergence parameter than formerly employed, so > as to not have to repeat all previous self-constancy iterations for > each irreducible representation? unfortunately there isn't Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
