Messages

1

Scripts, Tutorials and Applications / Re: How to generate zigzag edge GNR with nanoribbon function?

« on: December 5, 2012, 04:24 »

Thanks a lot.

How can I find the functions under NL.CommonConcepts.Configurations? And how can I use the molecular in database?

2

Scripts, Tutorials and Applications / Re: How to generate zigzag edge GNR with nanoribbon function?

« on: December 1, 2012, 02:36 »

Could you provide me the document for all the function in VNL?

Thanks

I apologize for the confusion. We decided some time ago to not really support the function NanoRibbon, since it's so easy now to build graphene nanoribbons in the graphical interface, in the Builder in VNL.

But fortunately it still works, and for a zigzag edge you would just do NanoRibbon(10,10) for instance.

The example in the manual is, however, indeed wrong for the passivation. Here is how you need to do it now:

Code: python

from NL.CommonConcepts.Configurations.Passivate import passivate
ribbon = NanoRibbon(10,10)
ribbon = passivate(ribbon,selection=[True]*len(ribbon))

3

Scripts, Tutorials and Applications / Re: How to generate zigzag edge GNR with nanoribbon function?

« on: November 30, 2012, 23:40 »

Thanks a lot.

What't the Methods to replace any atoms in one BulkConfiguration of ribbon?

4

Scripts, Tutorials and Applications / How to generate zigzag edge GNR with nanoribbon function?

« on: November 30, 2012, 02:25 »

the document tells nothing about this function and shows a wrong example.
I need to generate large among of GNRs with different width. I don't want to use mouse to do hundreds of times VNL operation. I know ribbon = NanoRibbon(10,0,Carbon,Carbon) can generate 10 atom armchair GNR. But how could I generate zigzag edge GNR with nanoribbon function? And how to generate the GNR and passivate the edge with desired atom? Could anyone provide a right document for this function? Really disappointed to the documents.