FORTRAN routines for the new SQW and PDF modules of GULP and TOBYFIT
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Cope, Elizabeth Ruth
This contains the source code for new modules for GULP and TOBYFIT, and is to be used in conjunction with these pre-exisiting codes.
Software / Usage instructions
GULP, TOBYFIT, SQW, INS, PDF, neutron scattering, computer simulations, lattice dynamics
University of Cambridge
This work was performed during a PhD supported financially by the Natural Environment Research Council (UK), the Science and Technology Facilities Council also providing funding as CASE sponsors.