Re: [sdpd] Help on ITO input file

[L.M.D.Cranswick...@dl.ac.uk]

> >The input format for 2Theta values in ITO is F10.5.
> >As I see, the problem is in the extra spaces before the
> >2Theta values in the input file.

A suggestion for obtaining starting input files
for the common indexing programs (ito, treor, dicvol,
lzon, taup, kohl, fjzn) would be to use the 
Crysfire suite for DOS:

Crysfire Tutorials:
   http://www.ccp14.ac.uk/tutorial/crys/

Download:
   http://www.ccp14.ac.uk/ccp/web-mirrors/crys-r-shirley/
   ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/crys-r-shirley/
   http://ccp14.sims.nrc.ca/ccp/web-mirrors/crys-r-shirley/

Even if you don't want to use the interface
functionality, it will generate all the relevant
control files that can be manually edited.

Lachlan.

-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick...@dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk