Hi,
It depends on what you want to do. For instance if you have already stored
the RHO file (or Rho.grid.nc) file you could do the following to get the
spin density along z for a polarized calculation.
sgrid Rho.grid.nc{0} --diff Rho.grid.nc{1} --geometry RUN.fdf --tile 10 a
test.cube
or,
There should be a performance difference between manually compiled siesta.
But the conda version is most useful for testing and getting to play with
siesta. :)
Den tir. 7. jun. 2022 kl. 22.02 skrev LQChen :
> Dear Community;
>
> Is the conda-version of siesta for learning? Or it is suit for real
