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[abinit-forum] Number of valence bands?

From: Stephane BECU <stephane.becu@st.com>
To: <forum@abinit.org>
Subject: [abinit-forum] Number of valence bands?
Date: Thu, 16 Mar 2006 11:34:25 +0100
Importance: Normal

Dear Henri,

The abinit package does require the exact number of valence band when
calculating 3DTE needeed for non-linear dielctric properties! You should
better compute the band structure with no external field and deduce nband
before applying any perturbation!

Good luck

Stéphane

Re: RE: [abinit-forum] Number of valence bands?, lfe11, 03/16/2006
- Re: [abinit-forum] Number of valence bands?, Masayoshi Mikami, 03/17/2006
- <Possible follow-up(s)>
- [abinit-forum] Number of valence bands?, Stephane BECU, 03/16/2006