Calculation
an archive of posts in this category
| 20 May 2025 | Thermal Conductivity Calculation using VASP + Phono3py |
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| 16 Feb 2025 | First-Principles-Based PBTE Method |
| 01 Dec 2024 | VASP Structure Optimization |
| 05 Oct 2024 | Numerical Methods for Density of States (DOS) Calculation |
| 05 Apr 2024 | Phonon Dispersion Calculation of Silicon Using QE |
| 16 Mar 2024 | Self-Consistent Energy Calculations with QE |