FORTRAN routines for the new SQW and PDF modules of GULP and TOBYFIT

Software UNKNOWN
Cope, Elizabeth Ruth;
(2010)
  • Publisher: University of Cambridge
  • Subject: GULP | TOBYFIT | SQW | INS | PDF | neutron scattering | computer simulations | lattice dynamics

This contains the source code for new modules for GULP and TOBYFIT, and is to be used in conjunction with these pre-exisiting codes. A detailed understanding of fundamental material properties can be obtained through the study of atomic vibrations, performed experime... View more
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