Distance between these atoms is too small. Perhaps an incorrect atom position or positions.
> 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 > -- Prof. Sushil Auluck Phone:+91-512-6797092/6148 Department of Physics +91-512-6798177(Home) Indian Institute of Technology Cell :+91-9305548667 Kanpur 208016 (UP) Fax :+91-512-6790914 India E-mail:saul...@iitk.ac.in ...............................................:saul...@gmail.com http://www.nplindia.org/prof-sushil-auluck http://www.iitk.ac.in/phy/index.php/component/content/article/2-uncategorised/124-sushil-auluck http://www.iitk.ac.in/phy/People/phy_facvis.html http://www.iitk.ac.in/phy/New01/profile_SA.html http://www.iitk.ac.in/phy/index.php/people/faculty http://www.iitk.ac.in/phy/index.php/people/faculty/12-people/faculty/profile/88-sushil-auluck ....................................................................... ~