The ABINIT Users Mailing List ( CLOSED )

[Gian-Marco Rignanese <rignanese@pcpm.ucl.ac.be>]

Dear Thomas,

the problem might be related to the variable "dilatmx" (to be set > 1.0, 
which is the default value).  It is used to define the sphere of plane 
waves and FFT box coherent with the possible modifications of the cell.

I don't know if in your case the unit cell is also relaxed ("optcell \= 
0") but I would guess it is otherwise the FFT grid would be the same for 
each Broyden step...

Best regards,

Gian-Marco.