Re: Bond lengths in Fullprof

[Magnus Helgerud S|rby]

The latest verson of Fullprof(2k) can do bond length and angle
calculations directly. The parameter JDIST (which appears when IMORE is
not zero) must be set to 3 for the phases of interest.
The result will come in files named CODFILn.dis (one for each phase).

I haven't tried this myself yet, but it is described in the appendix of
the manual, App_fp2k_man.pdf, which is available on the web.

Best wishes,

Magnus H. Sorby
[EMAIL PROTECTED]