Hello to all ADF users !
I have the following problem, trying to converge a small Cu_nO_(2n+2)
anion (n in the range 2-8) in an electric field simulated by point charges
(extension : roughly +/- 10 angstroms in the three space dimensions).
I keep getting the following error message (depending on the number of Cu
atoms) :
NO SUITABLE PLANE FOUND. HULL33
or
inconsistent merge of edges. HULL32
etc. This must have something to do with the GENPT routine. Does
anyone have an idea of what is going on ? Is the extension of the point
charges was too large compared to the molecule size ?
Thanks in advance for any input or advise,
Best regards !
-- Jean-Marie MOUESCA CEA-Grenoble, DRFMC / SCIB 17 avenue des Martyrs, 38054 Grenoble cedex 9 tel : (33) 4 38 78 30 13 fax : (33) 4 38 78 50 90Received on 2005-02-08 15:03:58
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