evanescent mode

[dhurba]

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

[zh]

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

[dhurba]

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 ..

[dhurba]

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..

[Nordland]

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.