VITESS Tool Lattice Distances

This tool generates files containing distances of lattice plains as used in the module 'sample_powder'. Up to now, only FCC lattices can be treated. We would appreciate if someone could extend this tool ot supply us with a more complete one. Due to the small number of necessary parameters, it runs as a normal batch. The generated file is written to the parameter directory, if it is known. The file contains: 1st column: distance in Å; 2nd column: intensity. If different reflections have got the same lattice distance, their intensities are summarized to give one line in the file.

The following parameters are needed.

Parameter
Unit
Description
Range or Values
lattice constant  
[Ang]

> 0
scattering length 1
[fm]
scattering length of atom type 1
> 0
scattering length 2
[fm]
scattering length of atom type 2, if it exists
0, it there is only one type of atoms
> 0
max. h*h + k*k + l*l
Max. value of s = h*h + k*k + l*l  for reflection (h k l), for which distance and intensity are calculated.

>= 1
Debye temperature
[K]

> 0
temperature
[K]
temperature of the sample, used to calculate the Debye-Waller factor
> 0
average atomic mass
[amu]
This is used to calculate the Debye-Waller factor
>= 1
name of file
name of the file that is going to be generated with extension (e.g. str), without path;
it will be written to the parameter directory
any

 



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