[Pw_forum] electronic DOS for a GB system of 60 atoms

Elie Moujaes elie.moujaes at hotmail.co.uk
Tue Aug 2 22:20:40 CEST 2011

Dear all,I am trying to reproduce calculations done on the electronic DOS of a 60 carbon system. I have got that the DOS is around 0.2 at the Fermi level whereas the calculations done previously got that it is exactly zero. In addition their curve seems sharper than mine. I used degauss=0.01 in nscf and scf calculations. the grid for scf was  4 4 1 whilst it was 9 9 1 for nscf. You will find attached the ps file of the DOS. Can anyone advise me on that?ThanksElie MoujaesUniversity of NottinghamNG7 2RDUK 		 	   		  
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