[Pw_forum] Re: CRASH of ph.x calculation in example06

lan haiping lanhaiping at gmail.com
Sun Aug 27 14:21:36 CEST 2006


Sorry ,
i then checked  the calculation of version 3.1.1, and didnot come to such
error.
Maybe this error is only in  Version 3.0.

I should move to the latest version.

regards,

hai-ping



On 8/27/06, lan haiping <lanhaiping at gmail.com> wrote:
>
>   Dear all,
>
>    I wanna obtain phonon spectrum of the irreducible BZ, then i tried to
> run $(espresso)/examples/example06.
>   But the code came to crash for matrix diagonalization error,  and just
> gave  alas.dyn0, alas.dyn1, alas.dyn2 files .
>   I then just changed the k_points in scf calculation  from 2 points to
> mkgrid (4,4,4, 0,0,0),  and the calculation can be finished sucessfully.
>
>  so, i would like to know whether this  error is due to math-lib or
> k-point setting in scf calculation ?
>
> Regards,
>
> Hai-Ping
>
>
>
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