[gpaw-users] Re: [gpaw-developers] On optimizing lattice parameters

[Duy Le]

I am working on MoS2. There are 2 parametters: a and c/a needed to be
optimized. (also internal parametter z, but this one can be optimized
with relaxation). I am using a grid with grid spacing about
0.156-0.160A.
Would you please tell me something about dependence of total energy on
stencils as there is no documentation about this one on gpaw website?
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



2010/4/15 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>:
> stencils