For fundamental reasons, PDOS <= DOS (see "spilling"), but generally you don't miss more than few % (or even much less than that). If you look at the *_pdos.tot file you will find both the total PDOS and the total DOS to compare - they should agree rather closely. Peaks in wavefunction-resolved PDOS may be smeared when you consider all atoms/wavefunctions summed together. Best, Guido
On 10/12/2012 03:28 PM, Cao TF wrote: > 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 ! > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy