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Re: [abinit-forum] WFK analyse and projected DOS

From: verstraete@pcpm.ucl.ac.be
To: Yves Ferro <yves.ferro@up.univ-mrs.fr>
Cc: forum@abinit.org
Subject: Re: [abinit-forum] WFK analyse and projected DOS
Date: Tue, 8 Mar 2005 09:35:26 +0100 (CET)

1- I have no idea. I imagine you mean cut3d crashes, not that it actually prints "Breakpoint" Run it through a debugger to see where it crashed. Platform? OS? Binary or self-compiled? Netiquette?

2- projecting gives s,p,d,f atomic-like characters for bands. Useful for a solid-state TB-like interpretation of band mixing.

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
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WFK analyse and projected DOS, Yves Ferro, 03/08/2005
- Re: [abinit-forum] WFK analyse and projected DOS, verstraete, 03/08/2005