Hey Bob, people from CRYSTAL told me that the last release, CRYSTAL09, implements the cube format for density and potential maps! Those files are written in the same format as GAUSSIAN. In fact when I open the CUBE file on Jmol I can see the structure. What Do I need to plot the map: 1) some keyword or 2) I need to work on the class?
I uploaded two specimens : mgo100_supc_0cell_DENS.CUBE and mgo100_supc_0cell_POT.CUBE (charge density and potential respectively) Many thanks -- 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
