Actually, this didn't work. I took the output from a couple of ABINIT runs I had sitting around. Both loaded nicely into Jmol when I parsed the output file. However, when I saved the file as CML, and re-loaded it into Jmol, it didn't work.

Looking at the resulting CML (attached) there doesn't appear to be any crystal specific information in the file. Which is what I was looking for in the first place.

I'm grateful for any help anyone can offer...

Rick


On Thursday, October 9, 2003, at 02:54 PM, Fabian Dortu wrote:

I have to find the time to generate a CML file from the last version of ABINIT. It is expected this file will be readable by jmol.

Fab

On Thu, 2003-10-09 at 21:49, Miguel wrote:

Rick Muller
[EMAIL PROTECTED]

Attachment: si_pbc.cml
Description: Binary data



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