QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: fangyongxinxi on October 8, 2009, 14:11

Title: Configuration like this is ok ?
Post by: fangyongxinxi on October 8, 2009, 14:11

Dear,

     I want to get the I-V characteristics of Cu nanowires, and make this configuration :the electrodes are Au(1 1 1), and the Cu nanowires comes from other literature.  I want to know:
    1,  Is this configuration ok ?
    2,  If it's ok, anything special settings during calculation should be noticed ?
 
   

Title: Re: Configuration like this is ok ?
Post by: zh on October 8, 2009, 16:18

From the picture, it is hard to see something whether your configuration is reasonable or not.  The best way is to post your script file, so that we can check it.

No special thing should be cared about, just do the calculation as the usual steps mentioned in the manual.