Dear SIESTA Users,
I'm Acharya doing M.Tech
Nanoelectronics at SASTRA University Thanjavur, INDIA. I have been working
on Lattice dynamics of CdO nanostructures using Born-von-Karman model. I
want to do the same using SIESTA. i am a beginner of SIESTA. I have few
doubts to ask.
1) how to differentiate a bulk structures from 2D and 1D structures in the
SIESTA input file . what is the parameter that differentiates them.
2) how to calculate the thermal conductivity and Debye-Waller factor from
the data obtained by compiling the input file.
Thankyou all in advance. I would be very grateful for your help.....!!!!
and sorry for troubling you all with these basic questions....!!!!!
--
With Regards,
K L N Acharya,
M.Tech., Nanoelectronics,
SASTRA UNIVERSITY,
Thanjavur.
