[Octopus-devel] spglib output

Xavier Andrade xavier at tddft.org
Fri Mar 6 06:32:52 WET 2009


Oops, sorry. I will check it.

X

On Thu, 5 Mar 2009, David Strubbe wrote:

> Additionally, it seems to me that the default of gamma point when no
> k-points are specified has disappeared.  My calculation (relying on this
> default) was just running with some unknown undefined k-point, which
> appeared neither in the output file nor the exec/out.oct file.
> 
> On Thu, Mar 5, 2009 at 7:05 PM, David Strubbe <dstrubbe at berkeley.edu> wrote:
>       Also I get weird control characters in the output after the
>       point group:
>
>       Space group No.25
>        International: Pm m 2
>        International(long): Pm m 2
>        Schoenflies: C2v^1
>        Multiplicity: 4
>       Point group
>        International: m m 2
>        Schoenflies: C2v- Show quoted text -
> 
> 
> On Thu, Mar 5, 2009 at 6:54 PM, David Strubbe <dstrubbe at berkeley.edu>
> wrote:
>       Can we make the analysis of the space group and point
>       group be printed only by node 0?  Currently it is being
>       printed by every node.
>
>       David
> 
> 
> 
> 
>


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