QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: nehatyagi on June 22, 2011, 07:26

Title: Regarging the calculated results
Post by: nehatyagi on June 22, 2011, 07:26

Dear Sir,
I have done the calculation of electronic properties of nanowires but the electronic band structures of few nanowires are showing metallic behavior whereas the same material nanowire is showing semiconducting nature as given in an article ( Phys. Rev.B 72, 075419 (2005)). Can you please tell me the region , why ATK shows such variation.