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Re: Help regarding and software for building Quantum dots

Masoud Nahali
masoudnahali@gmail.com





Dear Siddheshwar

well ! you need pen + paper + avogadro (in case you really like to use the avogadro) :)

see the structure that was made by avogadro and label the atom's numbers. So now you know you are going to put the particular atom "INSIDE" your system say between the atom-1 and atom-2. Simply put your NEW atom between them using avogadro otherwise you can save your structure as "xyz" format and add your atom manually to the system since you already know the label of atoms (and their locations seeing the xyz file) which you are putting the "add-atom" between them. Don't forget to add 1 to the number at the first line of "xyz" file in case you add just one atom to the system. Save it , visualize it again , and drink a coffee !

you should do it once in your life using pen and paper ! any visualizer cannot do it better than you !

Sincerely Yours
Masoud Nahali
SUT  


On Thu Nov 14 '13 3:26pm, Siddheshwar Chopra wrote
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>Dear Sir,
>I really apologize for asking a question not related to FIREFLY. I could not get any help elsewhere and hence I had to approach this forum.
>I wish to know that how should I design quantum dots with various sizes and containing different atoms like say Cd and Se? I should be able to change the stoichiometry easily. There is a function for nanotube builder in Avogadro 1.1.0. But it is working well only for one kind of atoms. In addition I want to say add another atom exactly INSIDE the quantum dot.
>Any suggestions would be welcomed.


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