Crystallographic resources


Entered: Mon Mar 12 2018

Operating systems: MS Windows

Type: Binary

Languages: Fortran


Application fields: Materials science


Description: If you have a set of h k l values and powder intensities, you would like to apply Lp and multiplicity corrections for any point group, and convert the intensity data into corresponding structure factors. You may want to calculate the structure factors for the supplied set of h k l values. You may want to correct the structure factors for anomalous dispersion effects for 10 different wavelengths. You may want to calculate the real and imaginary parts of the structure factors. You may want to calculate the sin(theta)/lambda values and the atomic scattering factors of all the atoms that you specify in your structure. You can do all these tasks with this program. Any number atoms (from 212 different kinds of atoms/ions) can be handled in your structures. The program can be wisely used for multiple tasks. There are options to suppress the application of multiplicity correction and absorption correction individually or in combination. Also, simulation of structure factors for a given set of h k l values can be done. No need to supply analytical coefficients, dispersion corrections – all data are pre-connected. Atom names and some preliminary info enough.


Last updated: 15 Oct 2021