Hi, The data needed to plot the DOS profile are in the DOS file.I am not sure, but I think that obtain a correct profiel with eig2dos and EIG file
depended of the atomic origin of coordinates, i.e.:
%block Atomic CoordinatesOrigin 7.720577 0.014252 0.743077* %endblock AtomicCoordiantesOrigin *Wich must coincide with a kind of recciprocal laticce, But I am not sure.If you take the data found in DOS file, this profile its correctly, regardless the origin.
I always use DOS file. I hope help you El 12/04/2010 10:32, Guangping Zhang escribió:
Dear SIESTA user:In a siesta run ,a file *.EIG can be generated,and we can get the DOS from it using eig2dos!But how to define the peak width,since different widths,the DOS have different profiles!Who can tell me ? In additon, the code in not read the *.KP to define the k weight. Thanks in advance!
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