Dear Ajay, the warning says, certain atoms are too close, and this most probably happens on applying the translations. Almost certainly there is an error in structure definition - I'd suggest to get a view of the atoms in the unit cell, with and without translations. SplitNorm is not a problem (at least, not at this stage..)
Best regards Andrei Postnikov ----- Ajay_Khanna <samthecha...@gmail.com> a écrit : > 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
