Siesta calculator: default parameters
Hi!
I think some of the default parameters of the siesta calculator are a problem in some of the calculations and should not be written in the siesta input (except if explicitly ask) in order that siesta uses its default parameters. I'm thinking in particular about,
- LatticeConstant
- block LatticeVectors
- block DM.InitSpin
- block kgrid_Monkhorst_Pack
@mads-engelund @brandimarte what do you think?