Hi all,

while performing an SCF calculation at integration 6 on a system of 70
atoms (one Y atom, the rest non-metal lighter elements), with the Pauli
relativistic formalism, I get this message on the screen:

--------------------------------------------------------------------------------------

/home/adf00/bin/adf: line 209: 5551 Broken pipe $PROG $@

Copying OUT
---------------------------------------------------------------------------------------

and the output file is interrupted just before writing the energy and
the output file after the section "Orbital energy, both spins".

This happens only with integration 6, while the analogous run at
integration 4 gives no problems.

Does anybody know which could be the problem?

Thanks in advance, and best wishes for the new year,

Chiara
Received on 2002-12-20 17:45:09