Messages

1

General Questions and Answers / Re: IndexError: index out of bounds

« on: June 3, 2010, 16:38 »

Thank you, Anders Blom!
I will follow your advice to modify my probes.
Thanks again.
Jianjin Dong

2

General Questions and Answers / Re: IndexError: index out of bounds

« on: May 29, 2010, 09:59 »

Thank you for your advice and I will explain my question in detail. I want to use ATK to set up a two-probe system and the probes are made of Au atoms.

At first, I set up the probes in Bulk Builder according to the radium of Au atoms.  The following is the script of produced by the Bulk Builder:

###############################################################
# NL Module imports
###############################################################
from NanoLanguage import *

# Set up lattice
vector_a = [24.0, 0.0, 0.0]*Angstrom
vector_b = [0.0, 10.0, 0.0]*Angstrom
vector_c = [0.0, 0.0, 21.95]*Angstrom
lattice = UnitCell(vector_a, vector_b, vector_c)

# Define elements
elements = [Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold,
            Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold,
            Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold, Gold,
            Gold, Gold, Gold, Gold, Gold, Gold]

# Define coordinates
cartesian_coordinates = [[  8.1 ,   5.  ,  12.95],
                         [ 10.7 ,   5.  ,  12.95],
                         [ 13.3 ,   5.  ,  12.95],
                         [ 15.9 ,   5.  ,  12.95],
                         [  9.4 ,   5.  ,  15.2 ],
                         [ 12.  ,   5.  ,  15.2 ],
                         [ 14.6 ,   5.  ,  15.2 ],
                         [  8.1 ,   5.  ,  17.45],
                         [ 10.7 ,   5.  ,  17.45],
                         [ 13.3 ,   5.  ,  17.45],
                         [ 15.9 ,   5.  ,  17.45],
                         [  9.4 ,   5.  ,  19.7 ],
                         [ 12.  ,   5.  ,  19.7 ],
                         [ 14.6 ,   5.  ,  19.7 ],
                         [  6.8 ,   5.  ,  15.2 ],
                         [ 17.2 ,   5.  ,  15.2 ],
                         [  6.8 ,   5.  ,  19.7 ],
                         [ 17.2 ,   5.  ,  19.7 ],
                         [  8.1 ,   5.  ,   9.  ],
                         [ 10.7 ,   5.  ,   9.  ],
                         [ 13.3 ,   5.  ,   9.  ],
                         [ 15.9 ,   5.  ,   9.  ],
                         [  9.4 ,   5.  ,   6.75],
                         [ 12.  ,   5.  ,   6.75],
                         [ 14.6 ,   5.  ,   6.75],
                         [  8.1 ,   5.  ,   4.5 ],
                         [ 10.7 ,   5.  ,   4.5 ],
                         [ 13.3 ,   5.  ,   4.5 ],
                         [ 15.9 ,   5.  ,   4.5 ],
                         [  9.4 ,   5.  ,   2.25],
                         [ 12.  ,   5.  ,   2.25],
                         [ 14.6 ,   5.  ,   2.25],
                         [  6.8 ,   5.  ,   6.75],
                         [ 17.2 ,   5.  ,   6.75],
                         [  6.8 ,   5.  ,   2.25],
                         [ 17.2 ,   5.  ,   2.25]]*Angstrom

# Set up configuration
bulk_configuration = BulkConfiguration(
    bravais_lattice=lattice,
    elements=elements,
    cartesian_coordinates=cartesian_coordinates
    )

Then I want to drop it to the Device From Bulk but it is not successful. An error comes our in the Log of Device From Bulk. It says that index out of bounds.

I am not sure whether I explain my question clearly, if not, please tell me because this is my first time to use this forum. So what can I do for solving this problem?

Thank you very much!

3

General Questions and Answers / Re: IndexError: index out of bounds

« on: May 28, 2010, 16:54 »

Thanks for your suggestions. I am still confused that I found Crystal Cupboard of Database is data bank. Could you tell me how to use it to design Au probes? Thanks a lot!

4

General Questions and Answers / IndexError: index out of bounds

« on: May 28, 2010, 05:23 »

Hello,everyone!I meet a problem at present.
I want to design a two-probe system made of Au. I make it in the Bulk Builder at first. When I drop it to the Device From Bulk. An error comes out:

Traceback (most recent call last):
  File ".\zipdir\NL\GUI\Core\Runner.py", line 232, in run
  File ".\zipdir\NL\GUI\Tools\CustomBuilder\Builders\DeviceFromBulk.py", line 149, in configuration
  File ".\zipdir\NL\CommonConcepts\PhysicalQuantity.py", line 751, in __mul__
IndexError: index out of bounds

Info: Script generator function does not generate a valid configuration.

I don't know how to correct my system according to the errror. Could you give me some advice?
Thanks for your time!