How to Calculate Effective Mass from WIEN2k (Curve-Fit Method)|Step-by-Step скачать в хорошем качестве

How to Calculate Effective Mass from WIEN2k (Curve-Fit Method)|Step-by-Step

Learn DFT with Muhammad — How to compute effective mass (electron & hole) from WIEN2k band data using a parabola fit. This step-by-step tutorial covers exporting band energies, selecting a parabolic region, fitting in Python, converting units, and reporting m*/mₑ. Ideal for students and researchers using WIEN2k. What you’ll learn • How to choose the band and k-range near VBM/CBM • How to extract E(k) data from WIEN2k band files • How to fit a quadratic (parabola) to E(k) and compute d²E/dk² • Unit conversions (Å⁻¹ ↔ m⁻¹, eV ↔ J) and the formula for m #DFT #WIEN2k #LearnDFTwithMuhammad #MaterialsScience #ComputationalMaterials #SolidStatePhysics #ElectronicStructure #QuantumMaterials #BandStructure #EffectiveMass #CurveFitting #ParabolicFit #EvsK #BandGap #ElectronMass #HoleMass #DFTCalculations #FirstPrinciples #AbInitio #MaterialSimulation #LinuxScience #ComputationalPhysics #ScientificComputing #PythonDFT #DataAnalysis #MaterialModeling #QuantumSimulation #DFTTutorial #WIEN2kTutorial #PhysicsResearch #ResearchTutorial #PhysicsEducation #StudyDFT #Nanomaterials #Semiconductors #SolarCells #Spintronics #Optoelectronics #MaterialProperties #BandTheory #ScienceYouTube #PhysicsYouTube #LearnWithMuhammad #ScientificLearning #STEMEducation #GraduateResearch #CondensedMatter #ComputationalChemistry #OpenSourceScience #ResearchCommunity