[Wien] pure d-orbital component

潘登 panda.deng.pan at gmail.com
Fri Jan 1 19:38:57 CET 2010


Dear All,
       I was about to calculate the structure of space group Pnma.When
plotted the dos of d-orbital for each component such as dz2.Unfortunely, the
component was mixed up together,it is impossible to distinguish the t2g and
eg.So I am wondering is there an easy way to get the pure component of each
orbital.

       Thank all.

     Pan Deng
Nanjing University
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