[Pw_forum] Cutoff and K_Points Convergence Test

Giovanni Cantele giovanni.cantele at spin.cnr.it
Tue Mar 7 09:16:42 CET 2017


just from a google search (quantum espresso convergence k-point)

http://qe-forge.org/pipermail/pw_forum/2013-February/101139.html <http://qe-forge.org/pipermail/pw_forum/2013-February/101139.html>

http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_pwscf_ex.pdf <http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_pwscf_ex.pdf>

http://people.sissa.it/~degironc/2011/tutorial_surface.pdf <http://people.sissa.it/~degironc/2011/tutorial_surface.pdf>

…. [many more]

Giovanni

> On 6 Mar 2017, at 23:51, Mofrad, Amir Mehdi (MU-Student) <amzf5 at mail.missouri.edu> wrote:
> 
> Dear all QE users and developers, 
> 
> How do you do the convergence test with respect to both Cutoff energy and K_points when you don't know the value of neither of them. Thank you.
> 
> Best,
> 
> Amir M. Mofrad    
> University of Missouri
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