VASP Tutorial - 14 Curie Temperature Calculation Using VASP скачать в хорошем качестве

VASP Tutorial - 14 Curie Temperature Calculation Using VASP

RG Dicsussion: https://www.researchgate.net/post/Cur... Slide: https://docs.google.com/presentation/... In this video, we will see how to calculate the Curie temperature (TC) of a magnetic material using VASP based on density functional theory (DFT). The Curie temperature is estimated using the mean field approximation (MFA) by comparing the total energies of ferromagnetic (FM) and antiferromagnetic (AFM) spin configurations. We walk through: 1. Setting up FM and AFM calculations in VASP 2. Extracting total energies from OUTCAR 3. Calculating the exchange interaction from AFM-FM energy differences 4. Estimating the Curie temperature using the mean field approach 5. Important assumptions and limitations of the MFA method This tutorial is ideal for beginners and researchers working on surface science, catalysis, or adsorption studies using VASP. If you find this video helpful, don’t forget to like, comment, and subscribe for more computational materials science content. Subscribe:    / @computational_physicist   LinkedIn:   / soumyashree-das-adhikari-a14776217   VASP    • VASP Tutorial - 1 SCF Calculation (Graphen...      • VASP Tutorial - 2 Lattice Parameter Optimi...      • VASP Tutorial - 3 Charge and Spin Density ...      • VASP Tutorial - 4 Van der Waals interactio...      • VASP Tutorial - 5 Selective Dynamics: Fixi...      • VASP Tutorial - 6 DFT+U in VASP      • VASP Tutorial - 7 NEB Calculation      • VASP Tutorial - 8 Spin-Polarized Calculation      • VASP Tutorial - 9 Ab Initio Molecular Dyna...      • VASP Tutorial - 10 DOS and Band Structure ...      • VASP Tutorial - 11 HSE06 Hybrid Functional...      • VASP Tutorial - 12 Phonon Calculation usin...      • VASP Tutorial - 13 Adsorption Energy Calcu...   #vasp #DensityOfStates #BandStructure #DOS #ElectronicStructure #VASP_Tutorial #ComputationalPhysics #QuantumChemistry #DFT #SolidStatePhysics #DFT #ComputationalPhysics #MaterialScience #computational_physicist #vestasoftware #vasp #simulation #computationalphysicist #computation #science #phd #research #moleculardynamics #aimd #newvideo #channel #phonon #dos #bandstructure #thermochemistry #vasp_phonopy #phonopy