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General Questions and Answers / bandstucture
« on: January 18, 2014, 10:50 »
can we calculate bandstructure for simple benzene molecule in bulk mode?
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General Questions and Answers / Regarding molecular junction geometry
« on: October 9, 2013, 08:35 »
I have read the tutorial of molecular junction, now I want to analyses the different molecule in the same geometry.but if i drop the another molecule in the same geometry some problem arises, like the molecule is much adsorbed in the electrodes and also the interfacing is improper.
So, how can i perfectly do the simulations with dropping the another molecule in the same geometry?Please help.
So, how can i perfectly do the simulations with dropping the another molecule in the same geometry?Please help.
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General Questions and Answers / Ac voltage supply in atk-12.8
« on: September 30, 2013, 08:27 »
Can we apply an ac voltage to simulate a device in atk 12.8 ?
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