Can anyone tell me how to generate slate koster files for Bi2MoO6 in materials tudio DFTB?

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How to compare two groups with only two measurements?

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03 March 2021 8,796 3 View

Hello fellow researcher .. What is the meaning of your name?

I would like to create a small guide containing the meanings of the names .. Thanks to everyone who cooperates with me in achieving it.

03 March 2021 5,266 4 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

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Is it possible to do piezoelectric coupling in ANSYS-APDL or COMSOL between tapered substrate and rectangular piezoelectric patch?

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Does anyone know HRM channel in a 2 plex QIAGEN Rotor- Gene Q qPCR can be used as a separate channel?

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Adherance of Polyaniline coating over stainless steel?

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How can you bring two structures together to create an adhesive bond in LAMMPS?

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No title

Does anyone have the experience of using Taq Man probes in the QIAGEN Rotar- Gene qPCR machine?

01 March 2021 5,311 1 View

Why is the sum of the elements in a row in a Q matrix equal to zero?

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28 February 2021 3,864 3 View

How to model the battery pack in PSIM or PSCAD?

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flexibility of polymers chain

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Formulation of polymer color flakes

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17 March 2021 0 0 View

How to analyze a particular region of my simulation box in GROMACS?

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What is the production process of CaFe ferroalloys?

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12% ledeburitic cold work tool steel, etched for revealing retained austenite, any help for clarifying?

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How can the modification of garden soil cause global warming?

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Does anyone know how to plot my station to a section plot on Ocean Data View (ODV)?

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How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

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How can you bring two structures together to create an adhesive bond in LAMMPS?

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Robert Stanton

If they don't exist for your system, you're honestly better off just finding a different approach as they're relatively difficult parametrize and ensure the reliability of. xTB for example would work for your setup, as it has parameters up to ~Z=85 or something like that.

Aiswarya Chandran

Robert Stanton Thank you sir for your reply.I will go for that.