The ABINIT Users Mailing List ( CLOSED )

[Andrey Khavryuchenko <akhavr@gmail.com>]

Pierre-Matthieu,

"AP" == Anglade Pierre-Matthieu wrote:

 >> I've turned to abinit because at future step I'll need to perform a
 >> modelling of 2d-periodic system (slab) and what results be comparable and
 >> done with the same tool.
 >> 
 >> But it looks like I have to use different software for that steps.

 AP> Well you can as well begin with the 2-D periodic system and then when
 AP> finished turn to the next version of abinit which will use wavelets to
 AP> describe non-periodic system. Obvously this require that you can  wait
 AP> until an abinit 5.2.3 or even a   5.3.3.

Unfortunately, the modelling plan prevents this, since the non-periodic
system is the natural construct with available experimental data, while 2d
slab would be its mock.

Anyway, it's good news that abinit progresses in the direction of
calculating non-periodic systems also.

-- 
Andrey V Khavryuchenko            
Software Development Company http://www.kds.com.ua/