QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Om Prakash Upadhyay on September 27, 2016, 08:10

Title: Cu2O Nanowire
Post by: Om Prakash Upadhyay on September 27, 2016, 08:10

I am calculating the bandstructure of Cu2O transition metaloxide srmiconductor using ATK_VNL (SGGA RPBE).
Whether this method gives good result or not?
If not, which method is preferable for best estimation.
Waiting for reply.....
                  Thanks in Advance....................

Title: Re: Cu2O Nanowire
Post by: Daniele Stradi on September 27, 2016, 16:22

Check:

http://quantumwise.com/forum/index.php?topic=4111.0