[Pw_forum] Restarting ph.x from a successful run

[Paul M. Grant]

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:pw_forum-admin at pwscf.org] 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


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