The ABINIT Users Mailing List ( CLOSED )

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

Dear Tianmiao,

It is likely that you can continue to use the same ecut, although  
some a posteriori
checks are strongly adviced.

On the other hand, the adequacy of
your sampling of k point might be completely changed by allowing the
density to spin-polarize (allowing the Fermi surface and DOS to change).

Xavier


On 16 May 2007, at 08:29, tianmiao8287@163.com wrote:

> dear forum,
>    First I use in LDA.I did ecut and K point test.Then I want to  
> use LSDA.I wonder whether I will do ecut and K point test again or  
> use previous test result?
> I hope your reply !
>  tian