[Pw_forum] Convergence test w.r.t 'tr2_ph'

[Paolo Giannozzi]

On Fri, 2012-11-02 at 17:07 -0500, Kyeong-hyun Park wrote:

> I am looking for the way of finding a proper tr2_ph value. Is there any convergence test for that? My simulation would run more than 50 hrs, so I don't want to just give it a shot with randomly picked value.

unfortunately there is no clear criterion right now. 1.d-14
should be fine, but sometimes calculations using ultrasoft 
pseudpootential may need tighter thresholds

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy