The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

On 19 Oct 2007, at 07:12, shinekin wrote:

> hi all,
>
>   how to set parameters in abinit so that i can just calculate  
> several bands, say two or three bands at the vicinity of fermi  
> level in conduction band or valece band?

After a self-consistent calculation, you can use iscf=-2 and  
wfoptalg=3 .
This should precisely do what you want. However, the algorithm that  
has been
implemented is not very efficient, and it might perhaps be faster  
simply to
compute all the occupied bands. See also the automatic test v3#45.

Xavier