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
Phone: +1 505 665-1367 Fax: +1 505 665-2676
Email: allo...@lanl.gov
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