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...@kent.ac.uk mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
