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Re: [abinit-forum] more than 1 principal Qu. num. with the same ang. mom. L-value

From: Natalie Holzwarth <natalie@wfu.edu>
To: Ryan Snow <snow9@llnl.gov>
Cc: forum@abinit.org
Subject: Re: [abinit-forum] more than 1 principal Qu. num. with the same ang. mom. L-value
Date: Thu, 13 Jul 2006 18:04:56 -0400 (EDT)

This should be possible using either the atompaw code --
http://www.wfu.edu/~natalie/papers/pwpaw/man.html or an adaptation of
the uspp code -- http://www.abinit.org/PAW/. abinit can handle PAW
functions from either of these codes.

On Thu, 13 Jul 2006, Ryan Snow wrote:

>
> I'm thinking about generating some PAW potentials for abinit to use, but
> at high pressure so that I would need different principal quantum
> numbers to have the same angular momentum number L.
>
> Does anyone know if either the potential generators or the abinit code
> can handle this? Thanks a million.
>
> Ryan Snow
>
>

N. A. W. Holzwarth email: natalie@wfu.edu
Department of Physics www: http://www.wfu.edu/~natalie
Wake Forest University voice: 336-758-5510
Winston-Salem, NC 27109-7507 fax: 336-758-6142
U. S. A.

more than 1 principal Qu. num. with the same ang. mom. L-value, Ryan Snow, 07/13/2006
- job crashed in silicon cluster gw calculation, Deyu Lu, 07/13/2006
- Re: [abinit-forum] more than 1 principal Qu. num. with the same ang. mom. L-value, Natalie Holzwarth, 07/14/2006