[Wien] ELNES: telnes.error

Bertoni Giovanni giovanni at cemes.fr
Wed Dec 10 20:30:55 CET 2003


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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