Dear all:
I'm trying to perform linear transit calculations in ADF. After the first
geometry update the program stops with the following error message. I can
not figure out what it means and would like to ask you for help if
anyone had a similar problem. Thank you.
=============================
G E O M E T R Y U P D A T E *** 2 ( LT 1 ) ***
=============================
lfree0,k,nnew=: 85 10 78
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ADF EXIT called
wrong nr removed
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Irina
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Irina Novozhilova
Department of Chemistry
733 Natural Sciences & Math Complex
State University of New York at Buffalo
Buffalo, New York 14260-3000
E-mail: chem9988_at_acsu.buffalo.edu
Tel.: +1 (716) 645-6800 x.2218
Fax : +1 (716) 645-6948
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Received on 2002-08-03 01:05:29
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