hi Dear all i calculate DOS of graphene and divide DOS to area of my supercell. and give the DOS in unit of 1/eV.(angstrom)^2 but my result is not compatible with reference. i use of smearing='fermi-dirac' & degauss=0.0005D0 & k-point = 24*24*1 what is wrong in my work?
in attached file: red line is my result and black line is reference. best regard ehsan targholi graduate student of chemistry department of iust -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140125/a3e13585/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: 01.jpg Type: image/jpeg Size: 93431 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140125/a3e13585/attachment.jpg
