Hi all!I am a beginner on DENCHAR and I am trying to perform a 3D plot of
the Wave functions but I obtain the following error message when running it
(even for different systems) :

forrtl: severe (67): input statement requires too much data, unit 11, file
Image              PC                Routine            Line        Source

denchar            00000000004B51E2  Unknown               Unknown  Unknown

I am using siesta-2.6.5 version and I am (almost!) sure I am fixing properly
the WaveFuncsKPoints block to the Gamma point :

WriteDenchar            .true.
WriteWaveFunctions      .true.
WaveFuncKPointsScale    pi/a
%block WaveFuncKPoints
  0.000 0.000 0.000
%endblock WaveFuncKPoints

The WFS file is Ok ; it generates the legible ascii file via readwf.
Actually,  I don' t know what´s wrong with it

Any idea?

THANKS in advance !!!
Best regards,

Ana Belén Muñoz
Dep. Química C-XIV 405
Universidad Autónoma de Madrid

On ne peut decrire en Art l´usine pour cacher le Renard Bleu
(A. Breton)

Reply via email to