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QuantumATK => General Questions and Answers => Topic started by: esp on February 4, 2012, 01:56

Title: programmatically creating device
Post by: esp on February 4, 2012, 01:56

HEllo,

I tried once before with some issues related to required overlap and such in atk, so i eventually started using the GUI .. but i really need to make devices (with electrodes) totally programmatically ... so i can automate some things ..

this is what i am thinking:
1) create bulk with something like

Code

	bulk_configuration = NanoSheet(6,0)
	bulk_configuration = bulk_configuration.repeat(1,1,10)
	bulk_lattice = bulk_configuration.bravaisLattice()
	bulk_elements = bulk_configuration.elements()
	bulk_cartesian_coordinates=bulk_configuration.cartesianCoordinates().inUnitsOf(Angstrom)

2) create similar electrode section by coping from the bulk on left and right ends ....

3) put together as device ...

Is there a simpler way to do this?  I tried before and had issues with lining up elements so that they overlap the same elements in the bulk ...

Title: Re: programmatically creating device
Post by: esp on February 4, 2012, 02:06

ok yes this worked, i just need to passivate it and i think it will work