VITESS Tool Generate Mirror Files

# 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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