Dear all,
My IRC job only gave the results of five points along each direction in
spite of the specified points number of 500 (The default value for points is
100 in ADF2003.01). After the job was restarted with increased points
number, it aborted and showed the error message of "no more path to do (2)"
Does anybody know the reason?
Any comments would be very appreciative.
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Yi LUO, Ph.D.
Organometallic Chemistry Laboratory
RIKEN (The Institute of Physical and Chemical Research)
2-1, Hirisawa, Wako, Saitama 351-0198, Japan
E-mail: yi_luo_at_riken.jp
TEL: +81-48-467-9391
Fax: +81-48-462-4665
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Received on 2004-08-09 13:31:20
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