Hi siesta users,
I am a new siesta user trying to reproduce the band structure of a graphene 
sheet. but I am not being able to relax the coordinates....the forces do not 
relax beyond 1 ev/Ang. The resulting band structure contains straight lines and 
doesnot show any dispersion. I am attaching my input file g1.fdf. Please point 
out my mistakes.



      

Attachment: g1.fdf
Description: Binary data

Responder a