DEMO CODE: YouTube Tutorial Manas SharmaI’m a physicist specializing in computational material science with a PhD in Physics from Friedrich-Schiller University Jena, Germany.…
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In this brief blog post I post a small code that can be used to solve a system of linear equations using SciPy…
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In this blog post, I demonstrate a Python code, that shows how to perform various matrix operations such as: 1. Defining a matrix,…
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In this post, I show a sample code along with a YouTube tutorial that can be used to fit a set of data-points…
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Get a license for CALYPSO by going to this page and filling out the form. Then download the latest CALYPSO package as well…
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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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This is the third and the final post on my series on writing a Powder XRD pattern (diffractogram) simulator from scratch using C.…
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This is the second post in the series of my posts on how to write an XRD Pattern simulator using C. In the…
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If you follow my blog, then you’d probably remember how I tried to write a powder X-Ray diffraction (XRD) pattern simulator quite a…
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Tutorial Quantum ESPRESSO has a package called ev.x that can be used to calculate the bulk modulus of a material. ev.x basically offers…
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