[Pw_forum] Restarting ph.x from a successful run

Paul M. Grant w2agz at pacbell.net
Mon Feb 26 22:48:07 CET 2007


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

 

 

 

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