hi Dear all i calculate DOS of graphene but my DOS is not compatible with reference. in the reference, DOS of graphene is U-shaped with minimum at 0 eV but in my calculation this minimum occure at -.35 eV. i increase K-point to 48 48 1 and change pseudopotentials. but result not change. DOS of my calculation is attached,
besst 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/20131203/56f4d71c/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: Untitled.png Type: image/png Size: 11594 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20131203/56f4d71c/attachment.png
