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Dear all, I have got results for the density of states of graphene using both scf and nscf techniques and both gave different results. The SCF calculation was with the C.pz-rrkjus.UPF and with a k points grid of 30x30x1. The NSCF calculation was with C.pz-vbc.UPF nad with 700 points (crystal_b)..I think the nscf converges more towards a zero DOS at some point. I am attaching both results and I would be greatful if someone can let me know if any of them looks like the DOS of graphene and why that difference.<BR>
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Regards.<BR>
<BR>
Elie Moujaes<BR>
University of Nottingham<BR>
Physics department<BR>
NG7 2RD<BR>
nOTTINGHAM,<BR>
UK<BR> <br /><hr />Do you want a Hotmail account? <a href='http://clk.atdmt.com/UKM/go/197222280/direct/01/' target='_new'>Sign-up now - Free</a></body>
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