Hi all Siesta users,

>> how to fix the question like"siesta: WARNING: Atoms
>> 460 641 too close: rij = 0.351881 Ang" ?

This warning comes because you have incorrectly specified the
positions of atoms in your unit cell.

 regards,

-- 
Sonu Kumar
Phd Student
Physics Department
Indian Institute of Technology
Delhi-110016, India
web:-http://www.iitd.ac.in/

Responder a