[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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