You need increase k-point sampling you can and reduce smearing. ---------------------------------------------------- Duy Le Postdoctoral Associate Department of Physics University of Central Florida. Website: http://www.physics.ucf.edu/~dle
On Wed, Dec 18, 2013 at 3:26 PM, ehsan targholi <targholi at gmail.com> wrote: > hi > Dear all > i want to calculate DOS for graphene , but my result not compatible with > reference . the range of -1.5 to 1.5 is important for me . for this range > the result of reference is lower than of my calculated DOS . the reference > DOS in zero value of energy is zero but my calculated DOS not zero,please > help me to solve this problem. > the image of reference DOS & my cal. DOS is attached. > > > best regard > ehsan targholi > graduate student of chemistry department of iust > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
