[Wien] Gmax/Gmin

[Jorissen Kevin]

kmax is the wave vector cutoff for the basis set of the wave functions
gmax is the wave vector cutoff for the basis set of the density and the potential
Since the density relates to the square of a wave function, it is recommended that gmax is at least twice kmax : 
gmin = 2 kmax, and gmax > gmin is recommended.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Leonardo Pisani [mailto:pisani at itp.uni-frankfurt.de] 
	Verzonden: ma 12/8/2003 10:54 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] Gmax/Gmin
	
	

	Dear Wien Users,
	
	I have just a simple question.
	What's the connection between Gmax and Kmax (from R-MT*K-MAX).
	And what is gmin?
	
	Thank you indeed.
	Leonardo Pisani.
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