[ase-users] Potential energy surface from ase-siesta NEB calculations

[Boubacar Traore]

Dear all,
I would like to know if it is possible to draw the potential energy surface (PES) from ASE neb calculations. I did my calculations with ASE siesta. If yes, could you please tell me how (for exemple in contour map or 3d representation)?
Best regards,
Boubacar 
 

     Le Lundi 10 novembre 2014 21h33, Boubacar Traore <traorehade at yahoo.fr> a écrit :
   

 Dear all,


I would like to know if it is possible to draw the potential energy surface (PES) from ASE neb calculations. I did my calculations with ASE siesta. If yes, could you please tell me how (for exemple in contour map or 3d representation)?
Best regards,
Boubacar 

    
_______________________________________________
ase-users mailing list
ase-users at listserv.fysik.dtu.dk
https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users

   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20141112/8af1bebd/attachment.html>