[Pw_forum] problem in calculating graphen dos

ehsan targholi targholi at gmail.com
Thu Oct 31 10:17:37 CET 2013


hi
i calculate dos of graphene. but the result of it not coincident with
reference . my input for dos calculation is:

&dos
  prefix='gs24'
  outdir='/home/ehsan/espresso-5.0/tmp/'
  fildos='gs24.dos',
  Emin=-25.0, Emax=25.0, DeltaE=0.1
/


and result is attached. so as you see in the attached picture, the positive
region of my calculation have not any peak but the reference of graphene
dos have peak. pleas guide me

have a good day
ehsan targholi
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