Hi Anna

Below is an example of the relevant top part of a pcr for that we used for isotopic Gd.

best

Andrew



COMM Gd Stanate 2.4A D20 Win Version
! Current global Chi2 (Bragg contrib.) =      117.3
! Files => DAT-file: 266625_1,  PCR-file: 266625_1
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut 1 5 2 3 2 1 0 0 1 0 0 0 0 0 0 0 0 0 1
!
!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
   0   0   1   1   1   0   0   0   0   2  10   1   1   1   0   0   1
!
! lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz ->Patt# 1 2.420000 2.420000 1.0000 99.000 15.0000 0.0000 0.0000 80.00 0.0000
!
!NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 6 0.30 0.75 0.75 0.75 0.75 1.1654 0.100075 154.6810 90.000 0.000
!
!2Theta/TOF/E(Kev)   Background  for Pattern#  1
        6.456   575356.375        0.000
        9.050   550061.500        0.000
       11.748   535182.063        0.000
!
! Excluded regions (LowT  HighT) for Pattern#  1
        0.00       22.94
       24.10       26.30
!
! Additional scattering factors for Pattern#  1
GD      0.90000   -0.03200   0
!
       0    !Number of refined parameters
!
! Zero Code Sycos Code Sysin Code Lambda Code MORE ->Patt# 1
  0.33521   0.00  0.00000   0.00  0.00000   0.00 0.000000    0.00   0




Then use GD as the atom type



On 22 Apr 2009, at 22:27, Anna Llobet wrote:

Can anyone remind me how does one change the scattering length of an element when using fullprof?

Thanks

Anna Llobet

--
====
Dr. Anna Llobet Lujan Neutron Scattering Center
Los Alamos National Laboratory
MSH805
Los Alamos, NM  87545, USA

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