Many thanks. I couldn't get the precise syntax you suggest to work but from
Bob's examples (which I must have been subliminally aware of) but
zap;isosurface phase scale 0.5 atomicOrbital 2 1 0 POINTS 100000
worked fine.
Maybe it was the Zeff value that disagreed with my file which is the hydride
ion.
All the best
Nick
--
3D Organic Animations http://www.chemtube3d.com
Tel: +44 (0)151-794-3506 (3500 secretary)
On 22 Jun 2011, at 19:31,
<[email protected]<mailto:[email protected]>>
wrote:
On 6/22/2011 2:23 PM, Greeves, Nick wrote:
I use Jmol to display atomic and molecular orbitals and it works well.
I would like to be able to render simple atomic orbitals 1s, 2s, 2p as
electron density maps made up of dots.
Is this currently possible and if so what sort of input file would
work best?
Something like this
http://ursula.chem.yale.edu/~chem125/125/answ/a198/Image69.gif
<http://ursula.chem.yale.edu/%7Echem125/125/answ/a198/Image69.gif> but
better. Taken from
http://ursula.chem.yale.edu/~chem125/125/answ/a198/a198.html
<http://ursula.chem.yale.edu/%7Echem125/125/answ/a198/a198.html>
Best regards
Nick
--
You can do much better than what is on these pictures! In the newest
Jmol try for example: isosurface color yellow atomicOrbital 4 2 -2 4.0
POINTS 5000;
See Bob Hanson pages with the most recent examples for full explanation.
PM
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