[Pw_forum] Technique for converging Ecut and K-points?

[Stefano Baroni]

NO - it does not matter.
Exercise: explain why.
Take care - SB

On Feb 23, 2013, at 8:55 PM, Ben Palmer <benpalmer1983 at gmail.com> wrote:

> Hi everyone,
> 
> I just wanted to ask if users have any techniques for choosing ecut and 
> k-points?  I've read that one way would be to start with a high number 
> of k-points and high energy cutoff, and use that energy as an almost 
> true value.  Then adjust k-points and energy cutoff from a lower 
> number/cutoff until it converges to the true value.  Would you try to 
> converge energy cutoff first, or k-points?  Does it matter which you 
> converge first?
> 
> Thanks
> 
> Ben Palmer
> Student @ University of Birmingham
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---
Stefano Baroni -  http://stefano.baroni.me, stefanobaroni (skype)
on leave of absence from SISSA, Trieste, presently at the Department of Materials, EPF Lausanne (until March 2013)

I believe in the despotism of human life and happiness against the liberty of money and possessions [John Steinbeck]

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