QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dipankar Saha on December 17, 2015, 16:01

Title: Repitition Match
Post by: Dipankar Saha on December 17, 2015, 16:01

Hi,
How does it matter...if the  default lengths of generated electrodes are different ( based on the repetition match, and of course in the case where the channel is asymmetric) .....? Say for e.g. the Left one is 5.75 Ang. and the right one is 11.07 Ang. ..!!!

Best_
Dipankar

Title: Re: Repitition Match
Post by: Anders Blom on December 18, 2015, 00:57

No impact. But don't blindly accept the default lengths, if 5 is suggested, that's on the low side, certainly for DFT.

Title: Re: Repitition Match
Post by: Dipankar Saha on December 18, 2015, 12:44

Dr. Anders Blom,

Thank you for the reply ..... :)