QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Sandeep Kumar Jain on January 6, 2012, 08:20

Title: density of states
Post by: Sandeep Kumar Jain on January 6, 2012, 08:20

dear all,

what does dip in density of states at fermi level represent in nanotubes?

Title: Re: density of states
Post by: zh on January 6, 2012, 08:59

Sometime, it may come from the numerical computation. Try the increasing of k-mesh and the tuning of temperature in Fermi-Dirac distribution function.  If possible, could you post the figure for the obtained DOS in your calculations?

Title: Re: density of states
Post by: jai on January 26, 2012, 07:53

It also depends upon the material so its hard to say anything without seeing structure or the script..