next up previous contents
Next: Users Notes for ESRF Up: 3D rendering Previous: Structure rendering   Contents

EigenModes rendering

The visualisation of eigenmodes is done via structure rendering.

<pymol.com>   eigenRendering.py  <rendering-file-name> \
      <structure_file-name> <storeall_name>

where storeall is the output file of dispersionDeb.py and rendering-file has the additional information of which mode has to be visualised :

Rendering_Radii=[0.5,0.6,0.7 ]
colors=[ [0.0,0.0,1.0], [1.0,0.0,0.0], [0.0,0.5,0.0] ]
nneig=[1,1,1]
NPscan=48
NPvector=41
fampli= 2.0

where NPscan specifies $q=Q[NPscan]$ ( NPscan starts from 0)

and NPvector is the eigenvector number ( NPvector goes from 0 up to $3*Natoms-1$ is).



Alessandro Mirone 2003-11-17