Subject: G: ONIOM using ECP

From: "Sergio Emanuel Galembeck" <[email-masked]>
Date: Mon, 8 Mar 1999 18:54:14 -0300

Dear Netters,

    I am  trying to run a metal complex
job using ONIOM. In the higher layer
I am using LSDA/LANL2DZ and in
the lower HF/3-21G. The job bumps
in the beginning and  presents the
following:

================================

Leave Link  202 at 18:18:19   on 03/08/99  , MaxMem=    6291456 cpu:
0.8
 (Enter /usr/local/g98/l120.exe)
 ONIOM: generating new system at layer 2
 ONIOM: saving gridpoint 9
 Leave Link  120 at 18:18:20   on 03/08/99  , MaxMem=    6291456 cpu:
0.0
 (Enter /usr/local/g98/l301.exe)
 Standard basis: 3-21G (6D, 7F)

============================================================================
=======================================================
 PSEUDOPOTENTIAL PARAMETERS

============================================================================
=======================================================
  CENTER     ATOMIC      VALENCE      ANGULAR      POWER
COORDINATES
  NUMBER     NUMBER     ELECTRONS     MOMENTUM     OF R      EXPONENT
COEFFICIENT                X           Y           Z

============================================================================
=======================================================
 EOF while reading ECP pointer card.
 Error termination via Lnk1e in /usr/local/g98/l301.exe.

===========================================

Thanks a lot,

                Sergio

==============================================
Sergio Emanuel Galembeck
Assistant Professor in Physical Chemistry
Laboratorio de Modelagem Molecular
Departamento de Quimica
Faculdade de Filosofia, Ciencias e Letras de Ribeirao Preto
Universidade de Sao Paulo

fax: +55-16-633-81-51
e-mail: [email-masked]

===============================================