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SPAGHETTI (energy bandstructure plots)

This program generates an energy bandstructure plot (postscript file) using the eigenvalues printed in case.output1. Using the SCF potentials one runs lapw1 with a special k-mesh along some high-symmetry lines (some sample inputs can be found in SRC_templates/*.klist). As an option, one can emphasize the character of the bands by additionally supplying a respective partial charges (file case.qtl which can be obtained using lapw2 with the QTL option and efmod set to ALL, see ). This will be called ``band-character plotting`` below, in which each energy is drawn by a circle whose radius is proportional to a specified character of that state. It allows to analyze the character of bands (see also figures 3.15 3.16).

It is strongly recommended that you use ``Run Programs Tasks Bandstructure'' from WIEN in a BOX.



 


2000-04-11