Видео

#dftcalculation #quantunespresso #bulkmodulus #gnuplot #linuxcommands #birchmurnaghanequation This video demonstrate how you can detetmine bulk modulus of polymorph-SiO2 by fitting Birch-Murnaghan equation of state on quantum espresso

#geometryoptimization #quantumespresso #dftcalculation After convergence test the next step is the geometry optimization using Quantum espresso. QE has an automatic procedure to search efficiently the minimum of this highdimensional energy function. By minimizing the energy along with the DFT(PBE) prediction we carry out this task.

#geometryoptimization #quantumespresso #dftcalculation After convergence test the next step is the geometry optimization using Quantum espresso. QE has an automatic procedure to search efficiently the minimum of this highdimensional energy function. By minimizing the energy along with the DFT(PBE) prediction we carry out this task.

#vesta #virtualbox #quantumespresso In this video VESTA is downloaded and installed on quantum mobile virtual machine. And how to open and use VESTA for viewing cif file is shown.

In this is video by running a simple DFT calculation on a input rock salt (NaCl) crystal we carry out convergence test. This video also explain the basis set size, exchange corelational functional , k-mesh sanpling that DFT uses on a quantum espresso code for electronic structural calculations,materials modelling etc. #quantumespresso #dftcalculation #exchangecorrelationfunctional #k-mesh #basi...

In this is video by running a simple DFT calculation on a input rock salt (NaCl) crystal we carry out convergence test. This video also explain the basis set size, exchange correlational functional , k-mesh sampling that DFT uses on a quantum espresso code for electronic structural calculations, materials modelling etc. #dftcalculation #exchangecorrelationfunctional #k-mesh #basissetsize #quant...

According to Noam Chomsky, use of ChatGPT is basically a high-tech plagiarism and a way of avoiding learning

#ystackplotinorigin #stackoffsetyaxis This is a follow up of a earlier tutorial on how to draw stack-plot in origin. Link: ruclips.net/video/Gv6XMXd2Ppk/видео.html

#findpeaksinorigin #labelpeaksinorigin #subtractbaselineinorigin #peaknalyzer

This video teaches you how to draw PL curve in origin/ PL intensity vs wavelength curve. In particular how to draw multiple y-axes plot, stack plot or stack line by y offset.It also explores plot details/ Change color to give graph a pleasant look. A compact and impressive graph is always often useful in research and publication.

deconvolute a peak, multiple peak fitting, curve fitting, baseline correction and smooth plot, turn off speed mode in origin How to peak deconvolute peak / multiple peaks fitting using deconvolution app in origin

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