[Wien] coefficients needed to express psi(n,k)

[Jorissen Kevin]

Those coefficients for *all* eigenfunctions are contained in the case.vector-files.
If you want just one particular eigenstate, use the program lapw7 (see UG, I don't think it's in w2web) to extract it.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Dariusz Chrobak [mailto:dchrobak at us.edu.pl] 
	Verzonden: vr 6/25/2004 5:07 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] coefficients needed to express psi(n,k)
	
	

	Dear Wien users,
	Does  Wien generate file containing values of the coefficients needed to
	express eigenfunction psi(n,k) in a basis set of the LAPW functions?
	
	Dariusz Chrobak
	
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