Keith,
I think the following should work:
color {*} partialCharge;color label yellow;label %-8.4[partialcharge]
The obscure -8.4 sets rounding. The following will illustrate this point:
color {*} partialCharge;color label yellow;label %[partialcharge]
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.com
On Apr 30, 2012, at 11:45 AM, Keith Refson wrote:
> Hello,
>
> Does anybody have an example of how to (a) label and (b) colour atoms by
> mulliken charges read from an input file (in this case .castep)?
> Perhaps I am being a bit dim today, but I have just spent 15 minutes
> trying to figure this out without success. The documentation is not
> helping -
>
> label %[mulliken]
>
> looked a good guess, but that just priints the word "mulliken". I guess
> there is some property name I am missing.
>
> sincerely
>
> Keith Refson
>
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