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? Neither a quick google of the forum archives nor a glance at the QE manual indicates this can be done in any obvious manner.
Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus <mailto:w2agz at pacbell.net> w2agz at pacbell.net <http://www.w2agz.com/> http://www.w2agz.com -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070226/c8c9c220/attachment.htm
