[ Identification | Description | Input parameters | Output parameters | Links ]
Filter_powder
ComponentThis is a general box-shaped powder filter/sample which simulates multiple coherent scattering vectors and absorption (incoherent scattering is modelled as absorption). Crystal structure is specified with an ascii data file. Each line contains seven numbers, separated by white space. The first three numbers are the (h,k,l) indices of the reciprocal lattice point, and the last number is the value of the structure factor |F|**2, in barns. (The rest of the numbers are not used; the file is in the format output by the Crystallographica program). Optionally, a number of absorbing blades may be incorporated into the filter - these are X-Z or Y-Z planes evenly spaced along the X or Y axis of the filter which absorb any neutron encountering them. EXAMPLE: You may use, as a filter, something like (5x5x5 cm cube): Filter_powder( ax=2.714, by=2.714, cz=4.405, cc=120, sigma_a = 0.0156, reflections="BeO.lau") and as a sample (1x1x1 cm cube): Filter_powder( ax=3.8186, by=3.8186, cz=11.6777, xmin =-0.005 , xmax = 0.005, ymin = -0.005, ymax = 0.005, zmin = -0.005, zmax = 0.005, XBlades=0, YBlades=0, sigma_a = 0, reflections="YBaCuO.lau")
Name | Unit | Description | Default |
---|---|---|---|
reflections | string | File name containing structure factors of reflections | |
xmin | -0.05 | ||
xmax | 0.05 | ||
ymin | -0.05 | ||
ymax | 0.05 | ||
zmin | -0.05 | ||
zmax | 0.05 | ||
ax | 2.714 | ||
ay | 0 | ||
az | 0 | ||
bx | 0 | ||
by | 2.714 | ||
bz | 0 | ||
cx | 0 | ||
cy | 0 | ||
cz | 4.405 | ||
pack | 1 | ||
sigma_a | 0.0156 | ||
DW | 1 | Debye-Waller factor of reflection | 1 |
XBlades | 1 | Number of vertical absorbing blades | 2 |
YBlades | 1 | Number of horizontal absorbing blades | 2 |
aa | 90 | ||
bb | 90 | ||
cc | 0 |
Name | Unit | Description | Default |
---|---|---|---|
XBlade_pos | |||
YBlade_pos | |||
xb | |||
xt | |||
yb | |||
yt | |||
pf_hkl_info |
Filter_powder.comp
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[ Identification | Description | Input parameters | Output parameters | Links ]
Generated automatically by McDoc, Peter Willendrup <peter.willendrup@risoe.dk> / Feb 28 2006