[Pw_forum] dynamical matrix

[Eyvaz Isaev]

Dear Alberto,

Probably, you should specify: 
tr2_ph=1.0d-12
in your ph.in file.
I suggest that you should use more accurate SCF
convergence criteria, too.

Bests,
Eyvaz.  

--- Alberto Milani <alberto.milani at chem.polimi.it>
wrote:

> Dear all,
> how one can change the default accuracy in the
> computation of the dynamical 
> matrix ? I would like to improve the quality of the
> phonon bands I am 
> computing.
> Thank you,
> A.M.
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