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[abinit-forum] LSDA+U with abinit

From: Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>
To: forum@abinit.org
Subject: [abinit-forum] LSDA+U with abinit
Date: Tue, 1 Jul 2008 22:42:11 +0000 (GMT)
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Hello,

I had asked about LSDA+U calculations with Abinit recently. From the response I got I came to know it is possible with PAW atomic data. Thanks to everyone for their help.

I am interested to do LSDA+U calculations for few compounds of Sr, Ba and halides (F, Cl, Br, I). Has someone generated PAW data for these elements ?

thanks,
Anurag

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[abinit-forum] LSDA+U with abinit, Anurag Chaudhry, 07/02/2008
- Re: [abinit-forum] LSDA+U with abinit, Bernard Amadon, 07/04/2008