Topics

1

General Questions and Answers / VNL files

« on: July 14, 2009, 14:52 »

Hi,everybody,with the  value and corresponding atom's coordinate, how to create the files so as to view at VNL or other tools?
such as:
# Index  Element  x (Ang)  y (Ang)  z (Ang)   Population
      0       C      6.10     5.00     5.54            1.23333
      1       C      8.94     5.00     5.54            1.12
      2       C     10.36     5.00     5.54            0.89
      3       C     13.21     5.00     5.54            1.2
      .............
Thanks a lot.

2

General Questions and Answers / bilayer graphene nanoribbon and two-probe system

« on: July 8, 2009, 08:09 »

Hi,everybody,do anyone has the script to create bilayer graphene nanoribbon? and can we use
the bilayer graphene nanoribbon to build two-probe system and calculate transport properties
with ATK? I will appreciate if anybody give me the clue or some reference papers.