CCL:G: gaussian09 and geomview

[Pierre Archirel <pierre.archirel() u-psud.fr>]

 Sent to CCL by: Pierre Archirel [pierre.archirel-x-u-psud.fr]
 Dear colleagues,
 I have been puzzled with the geomview keyword of gaussian,
 which enables (according to the gaussian user's manual)
 the visualization of PCM cavities. I guess, many PCM users
 have also tried this keyword...
 Using the simple data:
 # ... scrf=(... read)
 ...
 pcmdoc
 geomview
 I obtained a points.off file, showing only points in the space,
 of little interest, and not the tesselized cavity surface.
 By chance I added a tsare keyword:
 # ... scrf=(... read)
 ...
 pcmdoc
 tsare=0.2
 geomview
 and got two files: tesserae.off, showing the tesselized cavity surface
 and charge.off, showing the same tesselized surface with different
 colors according to the polarisation charge of each tessera.
 I have been much pleased with this last result, but I got it by chance...
 Did you know this trick?
 Is there a bug in gaussian 09? did I miss something?
 (Note that the tsare keyword is a gaussian 03 keyword, absent from
 the gaussian 09 manual)
 Best wishes,
 Pierre Archirel
 LCP, Universite Paris-Sud
 France
 pierre.archirel##u-psud.fr
 ______________________________________________________________
  Pierre Archirel
  Groupe Théosim: Théorie et Simulation
  Laboratoire de Chimie Physique      Tel: 01 69 15 63 86
  Bât 349                             Fax: 01 69 15 61 88
  91405 Orsay Cédex
  France                   pierre.archirel##u-psud.fr
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