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- From: verstraete@pcpm.ucl.ac.be
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Cut3D-Analyzing Charge contained in atomic sphere
- Date: Thu, 14 Apr 2005 16:06:23 +0200 (CEST)
Run cut3d on your WFK file, choose band, kpt, sppol, and give a positive value for the cutoff radius, when asked. Typically 1 or 2 bohr is fine.
This should already be documented somewhere...
Matthieu
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Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be PCPM, Boltzmann, pl. Croix du Sud, 1 tel: +32 10 47 33 59
B-1348 Louvain-la-Neuve Belgium fax: +32 10 47 34 52
- Cut3D-Analyzing Charge contained in atomic sphere, fatihgsen, 04/14/2005
- Re: [abinit-forum] Cut3D-Analyzing Charge contained in atomic sphere, verstraete, 04/14/2005
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