Dear Rok,
Welcome! As a matter of fact, yes, I'm aware of the problem. Molden does
that, too! We are currently working on upgrading the Molden file reader. We
think there is a problem with normalization in some cases that is making
some orbitals far larger than they are supposed to be. (This isn't really a
problem with Molden, it's a problem with the programs that create the
Molden files.
Can you help us? We could use some same files -- just zip them up and send
them to me directly, please. We're particularly interested in D and F
functions. Also clearly indicate the source program of the data, and if
possible, also include the output from that program, especially if that
program includes basis function listings (for example, Gaussian with the
gfprint option).
Bob Hanson
On Mon, Oct 3, 2011 at 2:21 AM, Rok Bohinc <[email protected]> wrote:
>
> Dear all,
>
> I am just new to Jmol and would like to visualize MOs from a molden file.
> I've noticed that once you get to higher MOs the plots become to large so
> the program cuts off some parts of the picture (I am not talking about
> zooming in/out problems). I've been searching in the manual for a command
> that would enlarger the frame, but was unsuccesfull.
>
> Does anybody know how to fix the problem?
>
> Kind regards,
> Rok Bohinc
>
>
>
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--
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
------------------------------------------------------------------------------
All the data continuously generated in your IT infrastructure contains a
definitive record of customers, application performance, security
threats, fraudulent activity and more. Splunk takes this data and makes
sense of it. Business sense. IT sense. Common sense.
http://p.sf.net/sfu/splunk-d2dcopy1
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