density of states
celio angel
adil.e... at gmail.com
Thu Jul 17 22:14:42 UTC 2014
Dear all users CP2K, I met a problem about the density of states,I study
ZnO and ,when I represented the 2p states of O element I notice that a lot
of pic in this state Contrary to literature.knowing that the structure and
the parameter are all optimized my question what are the sources of the
problem.
knowing that I utilusé the following command:
&PDOS
FILENAME PDOS-TMAA
NLUMO 100
&END PDOS
greeting
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