Re: [SIESTA-L] Plotting Spin Density in Supercell

2023-01-24 Por tôpico Nick Papior
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,

[SIESTA-L] Plotting Spin Density in Supercell

2022-06-19 Por tôpico Fanmiao Kong
Hello, I am using Denchar to plot the spin density. I want to plot it in a supercell of 10x1x1, but I found that the maximum number of unit cells is limited by 5x1x1 in my case. I found that this information is read from .PLD file and it looks like the internal auxiliary supercell (which also