Hi Ajay Khanna, The problem is not with the PAO.SplitNorm parameter. It's simply that some of the atoms in your simulation are too close to each other. This could be due to 2 reasons mainly:
1. The coordinates you are using for your atoms makes them too close to each other. 2. The lattice vectors are not defined correctly in order to describe the periodicity of your system. I hope this helps, -- Matias Matias Soto C. Ph.D. Canditate Materials Science and NanoEngineering Rice University On Sat, Mar 4, 2017 at 3:00 PM, Ajay_Khanna <[email protected]> wrote: > Greetings Everyone, I'm wondering if someone can help me in correcting this > warning > > siesta: WARNING: Atoms 11679 11979 too close: rij = 0.402646 Ang > siesta: WARNING: Atoms 11680 11963 too close: rij = 0.516207 Ang > > I'm using PAO.SplitNorm 0.16 and varied it to 0.37 > But still, I'm getting this warning. Can anybody please tell me what this > warning about is?? and how can I correct this? > > Thank you. > Ajay Khanna > Student > >
