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Date: Wed, 01 Aug 2007 09:54:41 -0700
From: Dunyou Wang <dunyou.wang@pnl.gov>
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To: Maria Angels Carvajal <mariac@yfaat.ch.huji.ac.il>
CC: nwchem-users@emsl.pnl.gov
Subject: Re: [NWCHEM] BSSE and explicit basis set definition
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Dear Maria,

There is one dft bsse input example under your
$NWCHEM_TOP/QA/tests/dft_bsse directory.

Hope this helps
Dunyou

Maria Angels Carvajal wrote:
>
> Dear all,
>
> I tried to run a BSSE calculation, using explicit basis set definition
> also for the ghost atoms. It seems that the program reads correctly
> the basis set, but something wrong happens when SCF starts.
>
> Has someone some working input, in such a way I can check if my input
> is correct?
>
> Thanks a lot,
>
>  
>
> Maria
>