[molpro-user] Excessive gradient in CI error

arimet at eie.gr arimet at eie.gr
Thu Jan 21 15:52:13 GMT 2010

Many users of MOLPRO have the same problem.  But no one seems to know how
to explain it and fix it.  I wish some one will tell us what to do about
this error. 

A. Metropoulos

Original Message:
From: Ulises Miranda ulimirandone at gmail.com
Date: Wed, 20 Jan 2010 22:23:22 -0600
To: molpro-user at molpro.net
Subject: [molpro-user] Excessive gradient in CI error

Hello, dear Molpro users.
I start a MCSCF/MRCI calculation for a potential energy curve but when it
starts the iterations I always get an error of "EXCESSIVE GRADIENT IN CI" at
any point, even when a previous calculation at the same point converged.
Could anybody help me solving this problem.
Thank you in advance.

Ulises Miranda

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