[Pw_forum] Default values used in Quantum espresso manuals

[Duy Le]

Hi,
conv = convergence
thr = threshold
forc = on the force
etot = on the total energy

So, the keywords say everything. They are the convergence threshold or
convergence condition. They are arbitrarily defined as users' needs. The
default values are the conventional values, I guess.

Best,


On Mon, Aug 31, 2009 at 5:49 AM, Shaptrishi Sharma <sh.shapt at gmail.com>wrote:

> Hi There,
> I am a new user in quantum espresso , thus I would like to ask one question
> how do the default values in the quantum espresso manuals have been choosed?
> I mean to say that in quantum espresso manuals we find
> forc_conv_thr =1.0D-3
> conv_thr =1.0D-6
> etot_conv_thr=1.0D-4
>
> How did the values calculated?
>
> Thanks
> Shaptarishi
>
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-- 
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
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