Re: INCONSISTENCY ROTPLG

Search:

Re: INCONSISTENCY ROTPLG

From: Stan van Gisbergen <vangisbergen_at_email.domain.hidden>
Date: Wed, 19 Nov 2003 09:02:30 +0100
X-Mailer: Apple Mail (2.552)

Dear Yinghua,

The routine rotplg is part of the code for generating the numerical
integration grid.
This specific error refers to a failure to symmetrize the coordinates.

A work-around might be to specify your coordinates more precisely (more
significant digits,
more symmetrically) in the input file or to modify the TOL parameter
after the symmetry
keyword. If that fails, please send a bug report to support_at_scm.com
including input and
output files.

Best regards,
Stan van Gisbergen

On Wednesday, November 19, 2003, at 12:47 AM, Yinghua Shen wrote:

> Dear all,
> I got this error message"INCONSISTENCY ROTPLG" when running ADF.
> Can anyone explain to me what it means?
> Thanks a lot,
> Yinghua

Dr. S.J.A. van Gisbergen      
Scientific Computing & Modelling NV
Theoretical Chemistry, Vrije Universiteit
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands                              
T: +31-20-4447626    
F: +31-20-4447629        
vangisbergen_at_scm.com  
http://www.scm.com
Received on 2003-11-19 09:02:19

This archive was generated by hypermail 2.2.0 : 2006-11-02 07:00:02 CET