[Pw_forum] Time of phonon calculation

程迎春 yccheng.nju at gmail.com
Fri May 15 16:29:20 CEST 2009


> &electrons
> /

In the scf calculation, the default convergence threshold for scf conv_thr
is 1.D-6, but in the phonon calculation, the threshold

>  tr2_ph=1.0d-12,
> is much tighter !!!


I think you can increase the scf threshold and decrease the phonon
threshold.  You can change the both threshold to 1.D-8.

-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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