Messages

1

General Questions and Answers / Re: Making allotropes of carbon by Graphene sheet

« on: April 22, 2011, 10:50 »

Its ok
Still I want to know how to make single layer graphene sheet by unzipping CNT is it possible by VNL Quantumwise 10.8.2
briefly forward the steps to produce.
Thanking you sir

With Regards
Ravi Kumar Biroju

2

General Questions and Answers / Making allotropes of carbon by Graphene sheet

« on: April 21, 2011, 10:54 »

Sir,
how to make other graphitic forms (fullerine,CNT,Graphite) by single layer graphene using VNL ATK10.8.2 DFT  
and I go through some articles to produce graphene un-zipping the CNTs Is it possible by VNL ATK10.8.2 DFT if it
kindly give the procedure to develop.

With Regards,
Ravi Kumar Biroju
 

3

General Questions and Answers / Re: Regarding the view of ATK python program script

« on: April 7, 2011, 06:11 »

Thank you sir
Its good to clear my doubt from your reply
If I have eany Query I clarify from you
regards
ravi.

4

General Questions and Answers / Re: Regarding the view of ATK python program script

« on: April 6, 2011, 15:07 »

Thank You Sir
Basically Iam saving the file after doing the caliculation of nanolanguage script in jobmanager   
I can see them in main window
They are saved as 'log files',I could not open them
Anyway I will see in the basic tutorial.
onemore thing is there is a option 'Brillioune zone root' in 'band structure' in Script generator,there we can give as z,G,x,y What does they mean?
how they are described by the symmetry points like gama,k,m in the band structure diagram?
regards
ravi

5

General Questions and Answers / Regarding the view of ATK python program script

« on: April 6, 2011, 07:41 »

I need to know
How to see the ATK python program script for configeration which we give in the input
It is mentioned that it saved as 'name.py ' file I could not open and see the complete script.