[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
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20060827/2629ed27/attachment.htm
More information about the Pw_forum
mailing list