Phonopy code is developped to calculate the phonon and thermal properties plus some other functionalities. To install the code click on the followi…
Read morePhonopy code is developped to calculate the phonon and thermal properties plus some other functionalities. To install the code we need to use th…
Read moreWhen we want to do alloying by substituting atoms by other atoms we find that there will be many configurations of substitutions which lead to …
Read moreNanoparticle is a 3D particle which has dimension between 1 and 100 nanometers with different shapes like cubic. Even particle with less than 1 nm d…
Read moret's very difficult to create the magnetic structure of different types. I have developped 3 scripts which make the operation automatic and ne…
Read moreSpontaneous Polarization in BaTiO3 BaTiO3 is a ferroelectric material that exhibits a spontaneous polarization. For the calculation of spontaneous…
Read moreIt's very difficult to create the magnetic structure of different types. I have developped 3 scripts which make the operation automatic and needs…
Read moreIn this tutorial, we calculate the chirality of Weyl points (using WIEN2K density functional package) pr…
Read moreHello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences.
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