Dear robert and everyone
I would like to animate the trajectory from the OUTCAR file and I heard I could use jmol,,,govasp,,,and VMD I have tried to use VMD and I succeeded to make a short movie from the OUTCAR file but VMD can not draw bond automatically between the cerium and oxygen atom ,,,,also between carbon and oxygen atom....I also send the jpeg file from my result using the VMD,,,,please see the attachment (I only send to robert because it's rather big,,,,if someone wants to see the file too,,,,please let me know) the red atom is oxygen,,the green atom is carbon,,,the white atom is cerium,,,and the gold atom is gold So I would like to try using jmol to animate the trajectory from the OUTCAR file......I wish the animation could show the bonds automatically between cerium and oxygen and between carbon and oxygen forming CO2 So,,,how do you thinks,,,robert and the others,,,,is there any advice for me??? Sincerely yours GBU ________________________________ From: Robert Hanson <[email protected]> To: [email protected] Sent: Fri, December 25, 2009 11:10:24 PM Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the OUTCAR file of VASP Excellent! I've been interested in working with someone on surface depiction -- it's one of the areas Jmol is not totally set up for. Please send us some file examples, and we can see what we can do. And share with us a bit about the sort of rendering that you would love to have but maybe don't have right now. Done for 2009, though! On Fri, Dec 25, 2009 at 5:03 AM, Fendy Digislash <[email protected]> wrote: > >Dear everyone > > >My name is Fendy and I would like to ask a question > >I'm doing a research using VASP for > simulation of CO oxidation on the surface of Au/CeO2 catalyst...I heard that > I could visualize > the trajectories of my simulation using jmol...Could any one give me a clue > how to use Jmol to visualize the trajectories of OUTCAR file from vasp??? or > perhaps there is a website that could give me a tutorial of Jmol to deal with > vasp file.... > > >Thanks for everyone's time to read this mail and to help me solving the >problem....GBU > > > > > > > > >------------------------------------------------------------------------------ >>This SF.Net email is sponsored by the Verizon Developer Community >>Take advantage of Verizon's best-in-class app development support >>A streamlined, 14 day to market process makes app distribution fast and easy >>Join now and get one step closer to millions of Verizon customers >http://p.sf.net/sfu/verizon-dev2dev >_______________________________________________ >>Jmol-users mailing list >[email protected] >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
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