QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: dhurba on March 13, 2012, 12:06

Title: evanescent mode
Post by: dhurba on March 13, 2012, 12:06

Which function in ATK analysis will give best picture of evanescent mode/field in Carbon nano tubes ?

Title: Re: evanescent mode
Post by: zh on March 14, 2012, 08:51

Try the analysis of the complex band structure or the local density of states.

Title: Re: evanescent mode
Post by: dhurba on March 20, 2012, 14:04

mine is a two probe system so no band structure..what about the local density of state..how it is different from DDOS ..ALSO since i am using huckel calculator ..so LDDOS is not supported ..

Title: Re: evanescent mode
Post by: dhurba on March 24, 2012, 13:14

does 11.8 support Optimization in EHT calc for two probe..i am asking because when i add optimization function, the output "optimized " config is a very very distorted compared to the unoptimized input..

Title: Re: evanescent mode
Post by: Nordland on March 24, 2012, 17:59

EH support optimization, but unless you have your own pair-potential is it not of much values, as it only will have the electronic components of the forces and hence the system will at best be random.