LCR-2, a fortran lattice constant refinement program
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Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.
For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.
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This report describes a computer program which refines lattice constants for any crystal symmetry by the least squares method. Several types of extrapolation functions are provided, and these functions can be used either singly or in combination. A complete error treatment is made, including covariances between parameters.