Dear Bob, have you got my e-mail along with some example of crystal outputs?
I saw Jmol can deal with the optimization of Gaussian structure! Which class is doing it, I would like to implement it for CRYSTAL. Once Jmol will read optimization file generated with crystal as Gaussian can do. I will send you my work. However, I worked out a way to fix the non periodicity of slab or polymer, this way Jmol can correctly plot them. In case of slab (or polymer) where the periodicity is reduced, can I limit the symmetry just along a and b (or just a) keeping fix c (c or b)? This way the user could generate the periodicity avoiding nonsense overlaps between atoms. Thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: [email protected] mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ------------------------------------------------------------------------------ SOLARIS 10 is the OS for Data Centers - provides features such as DTrace, Predictive Self Healing and Award Winning ZFS. Get Solaris 10 NOW http://p.sf.net/sfu/solaris-dev2dev _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
