The ABINIT Users Mailing List ( CLOSED )

[barrazal@uiuc.edu]

Dear users, developers,
I am obtaining the gap for Si(100) along the direction defined by the bottom 
of the dimmer trench.
Due to the size of the system and computational constraints, I can do a 
calculation with 3 k-points as a limit. As I'd like to obtain a few more 
points to trace a bandstructure, I considered obtaining the GW correction for 
the 3 k-points, then shifting the lattice, and calculating everything (KSS, 
SCR files)again. This method is very expensive, and I want to know if there 
is another way to get the GW correction for points not included in the 
original k-point mesh.

I also have the following question. I was told by one of the developers to 
set the inclvkb variable to zero to speed up calculations. The program 
accepts the variable but I'd like to find some documentation on its effect 
(and meaning) on the calculation.


Thank you in advance for your comments,
Salvador.