Computing for Science

The Computing for Science (CS) group supports ILL scientists, students and visitors in a number of activities including data analysis, instrument simulation and sample simulation.

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Lamp vibrations manual

Visualising normal modes of vibration in LAMP


(Didier Richard, Mark Johnson 2005)
 
LAMP can be used to visualise vibrations and phonons calculated by the VASP-PHONON
package. In order to perform these calculations, see the corresponding user manuals.  
 
LAMP reads the project.d07 file from PHONON in which the eigenvectors are written in "complex"
format.
 
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 d07 file is located.
3/ From the "tools" menu choose the "STRUCTURES" module.
4/ Use the "browse" button to select the d07 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
 "Amplitude" - choose a value that gives reasonable atomic displacements. A value that is
good for acoustic phonons will be too big for high frequency stretching modes.
 "Frequency list" - shows a list of modes and frequencies. Select a mode to be animated.
8/ Use the "play" button in the top right corner of the animation panel to see the selected mode