The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Sun,

"Nee how".
In principle, it will be preferred. Please also refer to the old post:
http://www.abinit.org/wws/arc/forum/2004-03/msg00043.html
Please do not mix LDA and GGA.
Slight difference among xc potentials (e.g. ixc = 1, 2, 3) may be OK.
(I do not have other cases such as mixing ixc=1 and ixc=4 etc.,
 but I will always keep such consistency as possible for practical 
calculations)

Good continuation,
Masayoshi

On 2005/07/04, at 18:24, Sun ShaoRui wrote:

> Dear all:
>      When I select the type of the exchang-correlation energy setted 
> by ixc,
> must it consist with the exchang-correlation energy type in the
> pseudopotential files ?
>                                      R. S. Sun