The ABINIT Users Mailing List ( CLOSED )

[Martin Vaughan <martin.vaughan@tyndall.ie>]

Dear ABINIT users.

I am a new ABINIT user and have a couple question concerning the use of the
variables nshiftk and shiftk that I am hoping someone can spread some light 
on.

Firstly, what happens exactly with the use of multiple shifts? Is the final
grid actually used an amalgamation of grids for the individual shifts? I have
noticed that only one shiftk is specified in output files when multiple shifts
were given as inputs.

Secondly, using the variable prtkpt to conduct an analysis of automatically
generated grids, the output file only gives one shift per kptrlatt. How would
one choose a good combination of these?

Many thanks,

Martin Vaughan