about smearing the density of states

Gabrielet=16 gabri... at gmail.com
Wed Jan 5 15:05:45 CET 2011


Dear all,

I have been running single point calculations on bulk ZnO and I would
like to visualize the DOS. Hence, I have printed out the .pdos files
for Zn and O and visualized it in a plotting program. However, the
plotted DOS for each band does not have enough points due to the
insufficient k-point sampling of cp2k (only at Gamma), and it is not
easy to interpret. Is there a way to print out a smeared DOS on cp2k?
Alternatively, is a script/program for doing this available? Thanks.

Gabriele


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