The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <xavier.gonze@uclouvain.be>]

Hi Davide,

On 08 Jul 2009, at 16:57, Davide Sangalli wrote:
> Davide Sangalli a écrit :
>
> Dear forum,
>    I'm using abinit to do some run on a bulk system.
> Now I set in the input the variable ngkpt, let's say
>
> ngkpt 3*10
>
> and I would like to set for each k-point istwfk=1.
>
> My problem is that I've no idea of how much will be the number
> of k-points used by abinit after consideration of symmetries,
> so I don't now which should be the dimension of istwfk...
> Is there a smart way to overcome this problem?

Yes, since ABNITv5.6 , there is the possibility of defining 1
while leaving the repetition nuber undefined :

istwfk *1
(leave a blank after istwfk , and no blank between the star and the one)

Regards,
Xavier