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Questions related from Naiwrit Karmodak
How the sigma value monitors the fluctuations in the temperature during MD. Does it mean, increasing sigma value allows the fluctuation near the expected temp. I would like to know how to control...
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In case of CNTs, if the n value ( for zigzag type ) is multiple of 3, the band structure shows metallic behavior but when n value is not the multiple of 3 it shows semiconducting behavior. Why is...
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How can I measure the direct and indirect band gaps from an output band structure file?
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While creating a unit cell within Materials studio, there is an option in add atom window that contains temperature factors. While adding the atoms do we have to mention the isotropic or...
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What values are generally given?
05 May 2014 3,894 1 View
After forming the whole unit cell with a specific space group, one of the atoms has to be removed, provided that the other atoms of similar type within the unit cell remain as they are. How can...
05 May 2014 1,494 4 View
In Materials Studio there is an option under Build called bonds and under that we find two tabs showing bonding scheme and connectivity option. Now in bonding scheme there is a window with lot of...
05 May 2014 2,566 0 View
I imported a .cif file in Materials Studio but the bonds with in the atoms are not visible. What can I do to get the bonds between nearest neighbors to have an idea of the complete structure?
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Pseudopotentials
04 April 2014 1,585 1 View
