Dear adf-users,

I have read a message from Luigi Cavallo indicating that he has
"optimization problems (internal coords) with adf2K. Some geometries never
converge (40 cycles still a huge grad). The same input, if I run adf2.3,
converges after more or less 10 steps."

At this respect, I have found similar problems even in single point
calculations for several systems: using the same input file, if I run
adf2.3 it converges quickly, but if I run adf2000.02 it converges much
slower or even there is not convergency.

I would like to know if it is a more general problem for adf2000.02 and so
it is better to use adf2.3.

Thanks in advance,

Antonio Aramburu
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Antonio Aramburu-Zabala
Departamento de Ciencias de la Tierra y Fisica de la Materia Condensada
Facultad de Ciencias
Universidad de Cantabria
Avenida de los Castros s/n
39005 Santander (Spain)

Phone: 34 - 942 201507
Fax: 34 - 942 201402
e-mail: aramburu_at_materiales.unican.es
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Received on 2001-04-26 13:56:32