[Jmol-developers] Crystal reader

[P.Canepa <pc...@ke...>]

Dear Bob, 

I forgot a very important thing about the CRYSTAL reader! In CRYSTAL, SLAB or  POLYMER systems can be generated reducing the periodicity of an initial   crystal solid with 3D! 
Our Jmol  reader doesn't have  this option and therefore it makes mistake reading these files! I uploaded an example called as : Pb_10_fullopt.out! 
Can you have a look? You will see the crystal being catted along one miller plane winch represents the final surface! 

Do you think is it possible to add this features!  would this mean to change a bit the header method part of our reader? 
-- 
Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom

e-mail: pc...@ke...
mobile: +44 (0) 7772-9756456
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