[Wien] ELNES: telnes.error

[Jorissen Kevin]

Strange.  Case.vsp doesn't bother about the k-mesh, and is okay for both N and H calculations.
All I can say is, try again.  x lapw0, to make sure case.vsp is okay.  Check case.innes (no crazy stuff?).  x elnes.
 
If it doesn't work, please give more details (the exact sequence of commands that you use - check :log for inspiration), or send enough files that I can try myself (at least struct, innes, klist).  It's hard to just guess what went wrong.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Bertoni Giovanni [mailto:giovanni at cemes.fr] 
	Verzonden: wo 12/10/2003 8:30 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] ELNES: telnes.error
	
	

	Dear users,
	I've tried the orientation dependent in elnes and it seems to work
	(thanks Kevin!)
	but I have another problem, this time with N formula (integrated angular
	ELNES)
	I'm trying calculating integrated ELNES (Formula N) for a system with no
	symmetries
	everything in the scf is OK, but I have the error in telnes
	
	telnes.error
	Error in the calcul of radial functions
	
	the program gives in the output:
	
	lib-4190 : UNRECOVERABLE library error
	 
	
	Encountered during a sequential formatted READ from unit 18
	Fortran unit 18 is connected to a sequential formatted text file:
	  "case.vsp"
	 Current format:  5040 FORMAT(3X,4E19.12)5020(15X,I3,/,/)
	
	
	I've tried adding or not adding the inversion in generatig the k-mesh,
	but it seems is not due to the symmetry...
	Please help me.
	giovanni
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