Begin forwarded message:
From: Eduardo Anglada <[EMAIL PROTECTED]>
Date: 8 de octubre de 2007 11:16:41 GMT+02:00
To: Edgar Martinez Guerra <[EMAIL PROTECTED]>
Subject: Re: [SIESTA-L] How to define a ion?
Dear Egar,
You should create a new pseudo. In the basis block you control the
size
of the basis set.
Regards,
Eduardo
On 07/10/2007, at 2:42, Edgar Martinez Guerra wrote:
For all users of SIESTA:
I want to calculate a system which one of its atoms is a ion. What
is the
correct?, to specify it on basis block or modify the pseudo of the
ion? or
both thing?
I would thank you any help.
Edgar Martinez
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