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- From: ngalamba@cii.fc.ul.pt
- To: forum@abinit.org
- Subject: AE_files_cut3d
- Date: Tue, 27 Feb 2007 22:41:04 +0100
Dear ABINIT users
I am trying to generate my own all-electron density files with FHI98 to use
in the computation of Hirshfeld charges using cut3d. Even though for the
elements I am working with I can reproduce the pseudopotentials (FHI98) as
well as the Core-electron files used in the AIM scheme (all available at the
ABINIT site), I cannot obtain those posted for the all-electron density
(available at ABINIT).
I am not sure I even understand what the second column of those files
represents.
Thanks in advance.
Nuno Galamba
- AE_files_cut3d, ngalamba, 02/27/2007
- Re: [abinit-forum] AE_files_cut3d, Matthieu Verstraete, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Nuno Galamba, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Matthieu Verstraete, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Nuno Galamba, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Matthieu Verstraete, 02/28/2007
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