NBX ERROR. HULL

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NBX ERROR. HULL

From: Stefan Portmann <portmann_at_email.domain.hidden>
Date: Thu, 25 Feb 1999 09:39:58 +0100
X-Mailer: Mozilla 4.5 [en] (X11; I; IRIX 6.3 IP32)

Dear ADF users

we see us confronted with the following error message:

                                             ***************************
                                            * C O M P U T A T I O N *
                                            ***************************

 ===================================================
 Numerical Integration : Atomic Polyhedra (Te Velde) *** (parameters,
tests) ***
 ===================================================

 General Accuracy Parameter : 6.00
1

***************************************************************************************************

                                                 A D F E X I T

 NBX ERROR. HULL

 Current Execution Stack has 4 elements
 Last to be Executed : ADF

 Stack of Active SubPrograms:
 ----------------------------
 POINTS
 GENPT
 AMOL
 ADF
......

The job contains a Efield statement.
Without the electric field and with just a small test field of two
points, the job terminates successfully.

Any hints on what is wrong are very welcome.

Stefan

-- 
Dr. Stefan Portmann
Laboratory of Physical Chemistry
ETH-Zentrum, RZ F15
Clausiusstrasse 59
CH-8092 Zurich 
Switzerland
Phone: +41 (0) 1 632 57 82
Fax:   +41 (0) 1 632 11 04
e-mail: portmann_at_igc.phys.chem.ethz.ch
Received on 1999-02-25 10:06:14

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