[Pw_forum] Total DOS and PDOS
tfcao at theory.issp.ac.cn
Fri Oct 12 15:28:15 CEST 2012
Dear QE users
I have tried to get the electronic structure of graphene-BNphene. The total DOS got with dos.x is perfect. The information shown in the DOS is agree with the energy band. In order to get the component of each kind of atoms. The PDOS are calculated with projwfc.x. However, there are many additional peaks in the PDOS. And the summation of PDOS is also not match the total DOS mentioned above. How to solve it ? Thank you in advance !
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