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Topics - puspa raj adhikari

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hello sir,
            i want to study the mechanical properties of nanotube but we have old (11.8) version of Vnl and atk facility in our lab . so plz can anyone send me a script file in which i can insert the optamised nanotube.nc file for calculation of elastic constant, bulkmodulas and youngs modulas of nanotube.
plz help me.
                                     thanks

2
hello,
        how can we measure the Diameter of nanowire?? any litreture or idea, plz share..
        in case of carbon nanotube, the value of a=0.246 but i found c=4. something  for c. I want to measure Diameter of TiC nanotube and nanowire.
                       hope for reply, thanks
               

3
Dear Quantum-wise staffs,
 
                                       i'm trying to optimise TiC nanotube of (14,14) armchair structure but could not success  and shows the error as mentioned below  attached file. plz help me how to solve this problem to optimise it? what is problem in Vnl behind it?

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