[Pw_forum] phonon, gk_sort error

Paolo Giannozzi giannozz at nest.sns.it
Wed Aug 23 20:12:52 CEST 2006

On Tuesday 22 August 2006 03:32, Kevin Chan wrote:

> I am doing a simple test to calculate Si gamma phonons.
> [..]
> which produces the following error: 
>       from gk_sort : error #         1
>       array gk out-of-bounds
> The error does not occur when I set -npool 1.
> The error occurs for espresso-3.1 and 3.1.1, but not 2.1.5.
> [...]
> My input files are below.  Please let me know if I should provide other
> information.

no more information is needed. There is (rather stupid) bug that under 
some circumstances leads to this error. If no error appears, the
calculations should be reliable. It will be fixed in the CVS version as 
soon as possible. No warranty that there will be a quick fix for stable
versions, though.

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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