[Wien] Two problems about DOS

[Shu Miao]

On Fri, 22 Oct 2004, Shu Miao wrote:

> Hello all,
> I  have two problems in calculating the DOS.
> 1. The default Emax in case.in1 is 1.5 which cuts off the DOS at 11ev.
> Since I want to know the DOS up to 20ev, I increase the Emax to 3.0 in
> case.in1and rerun lapw1. This extends the DOS to 14ev. However, whatever I
> increase the Emax further (5.0, 8.0, 10.0,...20.0), the DOS always stops
> at 14ev. Is there other parameter which puts limitation on the DOS range?

Just fixed this problem. For an Emax greater than 3.0, I need to
also increase the Emax in case.int during DOS to extend the energy range.
This is also true for the TiC example. Don't know why. Is there anyone
knows the reason?

Thanks

Shu

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