The ABINIT Users Mailing List ( CLOSED )

[Emmanuel Arras <emmanuel.arras@cea.fr>]

you can run it with istwfk 1
it will crash and give you the right number at the end of the log file.


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?
>
> Regards,
> Davide

--
Emmanuel ARRAS
L_Sim (Laboratoire de Simulation Atomistique)
SP2M / INAC
CEA Grenoble
tel : 00 33 (0)4 387 86862