(Didier Richard, Mark Johnson 2005)
 
LAMP can be used to visualise molecular dynamics trajectories calculated by VASP. In order to
perform these calculations, see the VASP user manuals.  
 
LAMP reads the XDATCAR (trajectory) and CONTCAR (structure) files from VASP. The title in
CONTCAR file (the first line) should be appended to include, for example, “Atoms: H C O” if there
are 3 atom types, namely H,C and O. Note that the first line of the XDATCAR file should contain
an integer number twice and then the number of frames in the file. The format is 3i4 so the
number of frames may be “stuck” to the preceding integer number.
 
A runtime, license-free version of LAMP can de downloaded via the ILL website (www.ill.fr) or
directly from ftp.ill.fr/pub/cs/lamp_runtimes.
 
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1/ Start LAMP.
2/ Set the working path, using the "browse" button to the directory where the XDATCAR and
CONTCAR files are located.
3/ From the "tools" menu choose the "STRUCTURES" module.
4/ Use the "browse" button to select the XDATCAR file. Atom types, coordinates etc will appear in
the interface. The size of atoms that will appear (next step) can be changed by clicking on the
"width" button and choosing the "f*3/4" option (to make smaller atoms). This can be done
repeatedly.
5/ Click on the "PLOT_CELLS" button, an atomistic display will appear.
6/ The "options" menu allows an animation panel to be selected.
7/ The "menu" allows several useful options.
 "Atoms" - choose "ball-stick" to see bonds
 "Bonds" - choose "live" so that bonds are recalculated during the animations
“Smoothing” – the number determines how many frames will be jumped, choose 1 to play
all the frames.
8/ Use the "play" button in the top right corner of the animation panel to see the animation.
9/ The “options/planes” menu brings up another small interface. The “other objects” menu has
many useful options like hiding atoms and measuring distances.