Author Topic: script for making equivalent bulk from two-probe  (Read 4661 times)

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Offline kstokbro

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script for making equivalent bulk from two-probe
« on: December 10, 2008, 12:33 »
Can anybody help me with a script that converts a two-probe system into equivalent bulk?
Kurt

Offline Anders Blom

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Re: script for making equivalent bulk from two-probe
« Reply #1 on: December 10, 2008, 12:40 »
There are a couple of different ways. Simplest is perhaps to load the system into the Atomic Manipulator in VNL. Then, you click the button "Save Equivalent Bulk...". There is also a NanoLanguage command; once you have created a two-probe system, the returned object has a method called equivalentBulkSystem(). Here's a very sketchy example of how to use it:
Code
from ATK.TwoProbe import *
...
twoprobe = TwoProbeConfiguration (...)
equiv_bulk = twoprobe.equivalentBulkSystem()
For reference: The equivalent bulk system contains the electrodes plus the central region, represented as a PeriodicAtomConfiguration. This is the system calculated by ATK in the "equivalent bulk run" that precedes the two-probe calculation when using the (default) keyword InitialDensity.EquivalentBulk in twoProbeAlgorithmParameters(). Hope that helps!
« Last Edit: December 10, 2008, 12:44 by Anders Blom »