[Ifeffit] space group C-1

Ravel, Bruce bravel at bnl.gov
Tue Oct 9 20:27:26 CDT 2007


Nan,

You haven't quite given me enough information to actually help.  In this case, I'd need to see the crystallographic reference, or at least the input data, for the problem at hand.  This is point #5 at http://cars9.uchicago.edu/~ravel/software/bugs.html.

B


--
 Bruce Ravel  ----------------------------------- bravel at bnl.gov


 My homepage:    http://cars9.uchicago.edu/~ravel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/




-----Original Message-----
From: Nan Jiang [mailto:Nan.Jiang at asu.edu]
Sent: Tue 10/9/2007 5:59 PM
To: bravel at anl.gov
Subject: space group C-1
 
Dear Dr Ravel

 

I use Atoms to generate clusters for FEFF calculations. My space group
is C-1, which is not included in your table. I tried to use P-1 instead,
but it does not work properly. There are four symmetries in C-4, but
only 2 in P-1. Could you advise me on this?

 

Thanks for your time.

 

Nan Jiang

 

 






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