How to calculate polarization in [110] direction in case of orthorhombic BaTiO3 using Quantum ESPRESSO?

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How to formulate the dynamics of the body of a legged robot(quadruped/hexapod) ?

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How to convert the Coriolis and centripetal force matrix in Lagrangian formulation from S(q,q'): n1 to S(q,q')q':nn ?

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How to use CHARMM force field into GROMACS for metal surfaces?

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03 November 2019 669 6 View

How porosity and surface area affect supercapacitor performance (and other electrochemical applications) ?

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24 June 2019 6,543 6 View

Is it necessary that a composite of metal oxide and rGO should always exhibit better energy storage properties compared to only metal oxide and rGO?

Kindly shed some light on it. In my case, the rGO alone is providing better supercapacitor properties than composite.

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How to make composite using ultrasonication, when one of your constituents is Grphene? What should be the ratio of both participating materials?

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Why in some cases Binder free electrode works well (stable ~95% after 1000 cycles) during continuius charging discharging of supercapacitor test ?

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19 June 2017 9,380 6 View

How to debug VUMAT subroutin in visual studio?

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In case of glassy carbon electrode, how can we characterize it after electrochemical testing?

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Why in some cases it is very high ?

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flexibility of polymers chain

effect of double bond on the flexibility of polymers

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Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

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Why almost every element would be metallized in sufficiently high pressure and low temperature?

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What is the state of the drug inside solid lipid nanoparticles (SLNs)?

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Mahmoud Hammouri

You need first to calculate the polarization along x-, then along y-directions. So the resultant of the 2 polarizations vectors will be the xy direction you looking for. I.e. P(xy) = sqrt {P(x)^2+(P(y)^2)}.

Deepashri Saraf

Thank you very much for the reply!

Anoop A Nair

Can you share the input files used for QE in berry phase calculations