The ABINIT Users Mailing List ( CLOSED )

[Wei Zhou <zdw2000@gmail.com>]

dear users;

           when I do calcualtions using abinit ,it alway shows something like this

 

[ Note that boxcut > 2.2 ; recall that boxcut=Gcut(box)/Gcut(sphere) = 2
  is sufficient for exact treatment of convolution.
  Such a large boxcut is a waste : you could raise ecut
  e.g. ecut=   24.520557 Hartrees makes boxcut=2
]

so I wonder if there some parameters I need to adjust .

any help will be appreciated