[sdpd] questions on FULLPROF

["Dr. Agus Purwanto" <purwanto...@centrin.net.id>]

Dear All,

I am used to use GSAS for noncolinear magnetic structure
refinements for both the Time OF Flight (TOF) and the
constant wavelength data.
As I just learned that FULLPROF can be used to analyze incommensurate magnetic structures based on the irreducible representation analysis, I have been trying to use
FULLPROF.  However, I have 3 questions:
1.  How to include the TOF incident spectrum ?  So far, 
    I could not find the explanation in the manual and 
    could not find the menu in the program
2.  I do not understand the term "atomic displacement rotation   
    matrices" mentioned in page 97 of the FULLPROF manual 
    (year 2001).  Particularly, I am having trouble in 
    understanding the example described on the last page of 98 
    and the begining of page 99, i.e.;
        SYMM  -X, -Y, -Z
        DSYM  U, -V, W, 0.0    ---------------> WHY ?
        MSYM U, V, W, 0.0
    I thought the line with the word WHY should have been 
        DSYM    -U, -V, -W
    as the displacement is a polar vector.  Moreover, 
    I thought that the displacement does not
    contribute to the magnetic structures.  
    Or probably I missunderstood the basic
    of the magnetic shubnikov space group ?
3.  What is the formula of the TOF profile function ?
    Or at least is there anybody that can give me 
    literatures of the TOF profile function used in 
    FULLPROF ?

Thank you very much.

Best Regards,

-- agus
===================================================
Agus Purwanto 
Neutron Science Laboratory (KENS)
Institute of Materials Structure Science
High Energy Accelerator Research Organization (KEK)
1-1 Oho, Tsukuba, Ibaraki 305-0801 JAPAN
(phone) 81-298-64-5610
(fax)   81-298-64-3202
(email) purwanto...@post.kek.jp
===================================================

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