## Geometry Optimization Algorithms and implementations using Quantum ESPRESSO

So, I’ve been using Quantum ESPRESSO (QE) for a while now. And it’s relaxation (optimization) functionality as well. Now, although I had a…

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# BragitOff.com

## READ-LEARN-BRAG!

## Geometry Optimization Algorithms and implementations using Quantum ESPRESSO

## X-Ray Diffraction (XRD) Pattern Simulator [C Program] Ver. 2 [Tutorial]

## Structure Factor Calculator [C PROGRAM]

## Atomic Form Factor Calculator and Table

## Bulk Modulus calculation using Quantum ESPRESSO

## Hellmann-Feynman Theorem YouTube tutorial

## Determinant of the Hilbert Matrix – C PROGRAM

## Chi Square Minimization using initial guesses – C PROGRAM

## Calculating Value of Pi using Monte Carlo Technique – C PROGRAM

## Central Limit Theorem Demonstration – C PROGRAM

So, I’ve been using Quantum ESPRESSO (QE) for a while now. And it’s relaxation (optimization) functionality as well. Now, although I had a…

Read MoreThis is the third and the final post on my series on writing a Powder XRD pattern (diffractogram) simulator from scratch using C.…

Read MoreThis is the second post in the series of my posts on how to write an XRD Pattern simulator using C. In the…

Read MoreIf you follow my blog, then you’d probably remember how I tried to write a powder X-Ray diffraction (XRD) pattern simulator quite a…

Read MoreTutorial Quantum ESPRESSO has a package called ev.x that can be used to calculate the bulk modulus of a material. ev.x basically offers…

Read MoreConsider donating if you found the information usefulAppreciate your blog: $3Have a coffee on me: $5Buying you a dinner: $10

Read MoreI have recently written a post that calculates the determinant of a given square matrix using the Gaussian elimination technique. In the last…

Read MoreMethod # 1: Chi-square minimization Fitting a dataset (xi,yi,si) using a curve y=f(x)=a*exp(bx), where values of the parameters a and b are unknown,…

Read MoreRecently in my Numerical Techniques class I learnt a Monte Carlo technique to calculate the value of Pi . The procedure is really…

Read MoreOne of the fundamental theorems of probability is the Central Limit Theorem. This theorem says that if Sn is the sum of n…

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