Showing posts with the label Phonon CalculationsShow all
Phonon Calculations
How to calculate the Phonon Properties of Hexagonal structure using the Phonon task
In a previous tutorial, we have calculated the phonon properties of a cubic structure. Now, we will calculate the phonon properties of the hexagonal…
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Phonon Calculations
How to calculate the Phonon Properties of Cubic structure using the Phonon task
To calculate the Phonon Properties there are 2 methods: 1. The DFPT method 2. The supercell method: It's time consuming and needs sufficient me…
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Phonon Calculations
How to install Phonopy code for Phonon calculations via Conda manager
We can install the Phonopy code from the code source but it's better to install it via Conda manager as follows: Conda is a software package ma…
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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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