[Wien] DOS Ry to eV

[Jorissen Kevin]

the zero is different for the two cases.
The Ry plot uses the same zero energy as the rest of WIEN (ie, your fermi energy should be at the value you find in case.scf), while in the eV plot, the zero is shifted to the fermi level (so your fermi level is at zero).
Are you calculating ordinary graphite?  I would expect Efermi to be sth like 0.45 Ry instead of -0.14 ...
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: fabella [mailto:wfabella at niu.edu] 
	Verzonden: do 6/24/2004 4:19 
	Aan: Wien2k FAQ 
	CC: 
	Onderwerp: [Wien] DOS Ry to eV
	
	

	Hello anyone,
	
	I'm plotting DOS for Graphite, my Fermi Energy is about -.14 Ry (-1.9
	eV) according to .scf file.  This maybe reasonable.  Anyhow when i plot
	the DOS with eV plot the Fermi Energy is not quite the direct
	conversion from Ry (1 Ry = 13.6 eV).  I'm not sure the reason for this?
	  When speaking in terms of binding energy this should be clear!
	
	I attached Ry and eV plot below.
	Thank You to anybody who can answer this for me.
	
	Wesley J. Fabella
	Northern Illinois University
	Physics Department
	Graduate Research Assist.
	

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