[Pw_forum] DOS for Molecules and clusters

Paolo Giannozzi giannozz at democritos.it
Tue Feb 15 09:18:45 CET 2011

Omololu Akin-Ojo wrote:

> Check Emin & Emax in your dos input; maybe they are outside 
> the range of the energy levels of the cluster.

correct: eigenvalues are between -9.6541 to 0.0310, while
Emin=1, Emax=25. In case of doubt, better not to specify
Emin and Emax: the code will plot the DOS on the available
energy range

Paolo Giannozzi, Democritos and University of Udine, Italy

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