Author Topic: Regarding the view of ATK python program script  (Read 3858 times)

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Offline Ravi Kumar Biroju

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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. 

Offline Anders Blom

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Re: Regarding the view of ATK python program script
« Reply #1 on: April 6, 2011, 10:05 »
Are you using VNL to set up the script? Then, in each tool there is a Save button (or use the File>Save menu), this will export the script. Or you can directly use the Send To button to open the script in the Editor. The basic tutorial explains these things in detail.

Offline Ravi Kumar Biroju

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Re: Regarding the view of ATK python program script
« Reply #2 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

Offline Anders Blom

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Re: Regarding the view of ATK python program script
« Reply #3 on: April 6, 2011, 15:14 »
There are two files to consider: the Python script that goes INTO the calculation, and the log file that comes OUT of it. You should keep track of both, so you can rerun the job if necessary, and not least to keep a record of the parameters that were used etc. So make it a habit to save the Python file before running the job, and the log file afterward as you do already.

The Brillouin zone route is made up of symmetry points, and you use the standard symbols for them (except G for Gamma). The defaults suggested are based on the symmetry of the system, so if you study a hexagonal cell you will find that it suggests K, M etc. These are however not symmetry points for, say, a 1D graphene ribbon. In fact, in a 1D system only G=(0,0,0) and Z=(0,0,pi/a) or permutations thereof depending on the direction of periodicity (X and Y) are symmetry points.


Offline Ravi Kumar Biroju

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Re: Regarding the view of ATK python program script
« Reply #4 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.