[Jmol-developers] still problem with certain geometries CUBE files

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

Dear All, Bob

We had recently spoken about CUBE files with periodicity, I still have a problem in overlapping correctly my map on the crystal structure. The case I am talking about  is the rombohedral  Fe2O3. 
Particularly in the last change you (Bob), did into the CUBE class, you applied a default rotation to the rombohedral- hexagonal systems which  to be honest I didn't understand. Why  did you ? 

I upload one directory (CUBE_CRYSTAL) into the crystal files with a couple of examples of cube files. One of this is MgO which works nicely the other is Fe2O3 whit its issues explained above.  


Second problem. thanks Angel but I haven't  figured out a possible solution.

Further setting   set drawHover = TRUE I cannot see the value anywhere. Is there something I miss or I am doing wrong ? 

Thanks a lot, Piero  


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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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