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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140717/916bdf3a/attachment.htm>


More information about the CP2K-user mailing list