[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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