The WIEN2k program is a powerful tool for calculating the properties of solids using the augmented plane wave plus local orbitals (APW+lo) method to solve the Kohn–Sham equations of density functional theory. The APW+lo method efficiently treats all electrons (core and valence) self-consistently in a full-potential treatment, making it suitable for a wide range of calculations, from electronic band structures and optimized atomic structures to more specialized properties like nuclear magnetic resonance shielding tensors and electric polarization. The program supports various parallelization options and optimized numerical libraries, enhancing its computational efficiency. WIEN2k offers a variety of exchange-correlation (XC) functionals, including LDA, GGA, MGGA, hybrid, and on-site methods for strongly correlated electrons, each designed to handle different types of systems and properties. The software also includes methods for bandgap calculations and van der Waals systems, providing accurate predictions of properties such as lattice parameters, cohesive energies, and bandgaps. The convergence of the self-consistent field (SCF) iterations is managed through advanced algorithms like MSEC3 and MSR1, ensuring reliable and efficient solutions. WIEN2k's robustness and accuracy make it a valuable tool for researchers in materials science and chemistry.The WIEN2k program is a powerful tool for calculating the properties of solids using the augmented plane wave plus local orbitals (APW+lo) method to solve the Kohn–Sham equations of density functional theory. The APW+lo method efficiently treats all electrons (core and valence) self-consistently in a full-potential treatment, making it suitable for a wide range of calculations, from electronic band structures and optimized atomic structures to more specialized properties like nuclear magnetic resonance shielding tensors and electric polarization. The program supports various parallelization options and optimized numerical libraries, enhancing its computational efficiency. WIEN2k offers a variety of exchange-correlation (XC) functionals, including LDA, GGA, MGGA, hybrid, and on-site methods for strongly correlated electrons, each designed to handle different types of systems and properties. The software also includes methods for bandgap calculations and van der Waals systems, providing accurate predictions of properties such as lattice parameters, cohesive energies, and bandgaps. The convergence of the self-consistent field (SCF) iterations is managed through advanced algorithms like MSEC3 and MSR1, ensuring reliable and efficient solutions. WIEN2k's robustness and accuracy make it a valuable tool for researchers in materials science and chemistry.