From owner-chemistry@ccl.net Thu Dec  4 12:01:00 2008
From: "shokofeh massahi massahi_physicalchem]_[yahoo.com" <owner-chemistry,server.ccl.net>
To: CCL
Subject: CCL:G: SCF is confused?
Message-Id: <-38246-081204085318-29148-nDXR3C1IR8e46YpYpRaNqg,server.ccl.net>
X-Original-From: "shokofeh  massahi" <massahi_physicalchem]![yahoo.com>
Date: Thu, 4 Dec 2008 08:53:14 -0500


Sent to CCL by: "shokofeh  massahi" [massahi_physicalchem(a)yahoo.com]
Hi ccl,
I am trying to run a BSSE single-point calculation (counterpoise) using
> MP2/aug-cc-pvdz on clusters.THE END OF THE OUTPUT FILE:

Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Inconsistent input #3 in SPerMO.
 Error termination via Lnk1e in C:\G03W\l502.exe at Tue Dec 02 13:55:01 2008.
 Job cpu time:  0 days  0 hours  8 minutes 17.0 seconds.
 File lengths (MBytes):  RWF=     39 Int=      0 D2E=      0 Chk=      2 Scr=      1

THE INPUT FILE:
%mem=300mb
%chk=c1c1.chk
# MP2/aug-cc-pvdz counterpoise=2 scf=tight
  
> I want to keep the method (MP2) and basis set consistent
> between compounds  is there anything I can do to make resolve this
> problem and allow the calculations to complete normally?  

> I thank you all in advance for any suggestions,
> shokofeh massahi
>massah_physicalchem#yahoo.com