Dear Guido Thank you very much for you kind reply. I have summed the PDOS of all the atoms. The additional peaks still exist. I suspect it may be related with the way how the PDOS are calculated in the PWSCF. In the Total DOS and PDOS calculations the "smearing = tetrahedra" is used. And the Kponits was set to 8 8 1 0 0 0 for the 6X6 supercell of graphene. So are there any other parameters may be specially tested in the PDOS calculation. Any suggestions will be greatly appreciated !
-------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121013/ecca3dbc/attachment.html
