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Phonopy Code
How to calculate the Phonon Band Structure using the Phonopy code using Script
Phonopy code is developped to calculate the phonon and thermal properties plus some other functionalities. To install the code click on the following…
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Pseudopotentials Libraries
Psf pseudopoentionals libraries
We can the psp pseudopoentials from the following links: https://departments.icmab.es/leem/SIESTA_MATERIAL/Databases/Pseudopotentials/periodictable…
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Phonopy Code
How to calculate the Phonon Band Structure using the Phonopy code
Phonopy code is developped to calculate the phonon and thermal properties plus some other functionalities. To install the code click on the followi…
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Phonopy Code
How to install Phonopy Code to calculate Phonon and Thermal properties
Phonopy code is developped to calculate the phonon and thermal properties plus some other functionalities. To install the code we need to use the …
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ASE Interface
How to calculate the total energy of Silicon using ASE interface
The ASE (Atomic Simulation Environment) interface s a set of tools and Python modules for setting up, manipulating, running, visualizing and anal…
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ASE Interface
How to download and install the Atomic Simulation Environment ASE
ASE is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations. To install ASE …
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Polarization Properties
Calculation of optical properties and macroscopic polarization with SIESTA
Daniel Sánchez-Portal
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Hello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences.
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