Hi, I've told you: Never did that type of calculations.
BUT, if remember correctly, if atom X gets label "n", then the corresponding ghost atom is specified as "-n". No less, no more; you shouldn't worry about ghost atom basis, Siesta should take care. Search for "ghost" in the manual, it should be there. Regards, Roberto On Thu, 12 Feb 2009, Sarah Lebedev wrote:
Hello, Thanks for replying me. Could you please let me know: 1. how you show the basis of the ghost atom in the input file? 2. If we have 3 different types of atoms in the unit cell, let's say BaTiO3, how dowe consider the ghost atoms then? Regards, Sarah ...
