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Problems with PAW potential: band gap too big

From: Pascal Rausch <rausch@physik.rwth-aachen.de>
To: forum@abinit.org
Subject: Problems with PAW potential: band gap too big
Date: Mon, 02 Apr 2007 18:20:28 +0200

Hi,

i created a germanium PAW potential using the USPP generator. Lattice constant and bulk modulus are excellent, nevertheless the band gap is too high! Has anybody an idea what could be the reason?

Pascal Rausch

Re: [abinit-forum] TDDFT: a question on the kernel, Davide Sangalli, 04/01/2007
- Problems with PAW potential: band gap too big, Pascal Rausch, 04/02/2007
  - Re: [abinit-forum] Problems with PAW potential: band gap too big, Guillaume Dumont, 04/02/2007