oooh. Tell me all about it! We have a CASTEP output reader -- are we not
getting frequencies there?
On Thu, Sep 8, 2011 at 11:35 AM, Keith Refson <kref...@gmail.com> wrote:
> Dear Robert,
>
> Yes, that has fixed it. Thanks very much for the very rapid response.
>
> Just to let you know the context, I am developing scripts to animate
> the phonon vibrations from CASTEP output. This works by translating into
> an xyz file, which seems by far the most convenient way of inputting
> phonon data into JMol.
>
> Keith Refson
>
> Robert Hanson wrote:
> > Good. I think I fixed it. See
> > http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
> >
> >
> > On Thu, Sep 8, 2011 at 10:01 AM, Keith Refson <kref...@gmail.com
> > <mailto:kref...@gmail.com>> wrote:
> >
> > This is with Jmol 12.2.2RC5 run as a stand alone application under
> > Linux.
> >
> > Robert Hanson wrote:
> > > I don't know. Works for me. What version?
> > >
> > >
> > > On Thu, Sep 8, 2011 at 7:10 AM, Keith Refson <kref...@gmail.com
> > <mailto:kref...@gmail.com>
> > > <mailto:kref...@gmail.com <mailto:kref...@gmail.com>>> wrote:
> > >
> > > 2
> > > Mode 1, 1026.29 1/cm jmolscript: {load "" {1 1 1} PACKED
> > unitcell
> > > {2.573336 2.573336 2.573336 60.000000 60.000000 60.000000};
> > vibration
> > > scale 0; vibration on}
> > > B 0.0000 0.0000 0.0000 0.0927 0.2005 -0.0564
> > > N 1.2867 0.7429 0.5253 -0.0719 -0.1555 0.0438
> > >
> > >
> > > (note the "vibration scale 0") still produces a vibration
> > with a scale
> > > which is clearly non-zero.
> > >
> > >
> > > Is it possible that you are seeing this specifically with the
> > > application (not the applet) and specifically for the first model
> > you load?
> >
> > Yes, and yes. A second load of the xyz file into the same jmol
> session
> > does honour the "vibration scale" command.
> >
> > Keith
> >
> >
> >
> > >
> > > Keith
> > >
> > >
> >
> ------------------------------------------------------------------------------
> > > Doing More with Less: The Next Generation Virtual Desktop
> > > What are the key obstacles that have prevented many mid-market
> > > businesses
> > > from deploying virtual desktops? How do next-generation
> virtual
> > > desktops
> > > provide companies an easier-to-deploy, easier-to-manage and
> more
> > > affordable
> > > virtual desktop
> > model.http://www.accelacomm.com/jaw/sfnl/114/51426474/
> > > _______________________________________________
> > > Jmol-users mailing list
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> > <mailto:Jmol-users@lists.sourceforge.net>
> > > <mailto:Jmol-users@lists.sourceforge.net
> > <mailto:Jmol-users@lists.sourceforge.net>>
> > > https://lists.sourceforge.net/lists/listinfo/jmol-users
> > >
> > >
> > >
> > >
> > > --
> > > Robert M. Hanson
> > > Professor of Chemistry
> > > St. Olaf College
> > > 1520 St. Olaf Ave.
> > > Northfield, MN 55057
> > > http://www.stolaf.edu/people/hansonr
> > > phone: 507-786-3107 <tel:507-786-3107>
> > >
> > >
> > > If nature does not answer first what we want,
> > > it is better to take what answer we get.
> > >
> > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> > >
> > >
> > >
> >
> ------------------------------------------------------------------------------
> > > Doing More with Less: The Next Generation Virtual Desktop
> > > What are the key obstacles that have prevented many mid-market
> > businesses
> > > from deploying virtual desktops? How do next-generation virtual
> > desktops
> > > provide companies an easier-to-deploy, easier-to-manage and more
> > affordable
> > > virtual desktop
> > model.http://www.accelacomm.com/jaw/sfnl/114/51426474/
> > >
> > >
> > >
> > > _______________________________________________
> > > Jmol-users mailing list
> > > Jmol-users@lists.sourceforge.net
> > <mailto:Jmol-users@lists.sourceforge.net>
> > > https://lists.sourceforge.net/lists/listinfo/jmol-users
> >
> >
> >
> ------------------------------------------------------------------------------
> > Doing More with Less: The Next Generation Virtual Desktop
> > What are the key obstacles that have prevented many mid-market
> > businesses
> > from deploying virtual desktops? How do next-generation virtual
> > desktops
> > provide companies an easier-to-deploy, easier-to-manage and more
> > affordable
> > virtual desktop model.
> http://www.accelacomm.com/jaw/sfnl/114/51426474/
> > _______________________________________________
> > Jmol-users mailing list
> > Jmol-users@lists.sourceforge.net
> > <mailto:Jmol-users@lists.sourceforge.net>
> > https://lists.sourceforge.net/lists/listinfo/jmol-users
> >
> >
> >
> >
> > --
> > Robert M. Hanson
> > Professor of Chemistry
> > St. Olaf College
> > 1520 St. Olaf Ave.
> > Northfield, MN 55057
> > http://www.stolaf.edu/people/hansonr
> > phone: 507-786-3107
> >
> >
> > If nature does not answer first what we want,
> > it is better to take what answer we get.
> >
> > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> >
> >
> >
> ------------------------------------------------------------------------------
> > Doing More with Less: The Next Generation Virtual Desktop
> > What are the key obstacles that have prevented many mid-market businesses
> > from deploying virtual desktops? How do next-generation virtual
> desktops
> > provide companies an easier-to-deploy, easier-to-manage and more
> affordable
> > virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/
> >
> >
> >
> > _______________________________________________
> > Jmol-users mailing list
> > Jmol-users@lists.sourceforge.net
> > https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
>
> ------------------------------------------------------------------------------
> Doing More with Less: The Next Generation Virtual Desktop
> What are the key obstacles that have prevented many mid-market businesses
> from deploying virtual desktops? How do next-generation virtual desktops
> provide companies an easier-to-deploy, easier-to-manage and more affordable
> virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/
> _______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Doing More with Less: The Next Generation Virtual Desktop
What are the key obstacles that have prevented many mid-market businesses
from deploying virtual desktops? How do next-generation virtual desktops
provide companies an easier-to-deploy, easier-to-manage and more affordable
virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/
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