A tag is a keyword or label that categorizes your question with other, similar questions. Using the right tags makes it easier for others to find and answer your question.
Questions about the VMD software.
Questions about plane-wave basis sets.
For questions about the calculation of phonon density of states (DoS) or the theories involved in them.
Questions about publishing. Questions in this tag will also show up in the feed for the Academia.SE main chat room.
For questions applying informatics techniques (data mining, high-throughput screening, specialized file formats) to materials research
Questions concerning the Thermo-Calc software package.
Questions regarding periodic boundary conditions in materials.
Questions related to Density Functional Perturbation Theory.
Questions to do with configuration interaction theory and applications.
Questions related to phase transitions in matter.
For questions related to simulating the effects of magnetic fields.
for questions about the density matrix renormalization group (DMRG) method.
For questions about heterostructures.
Questions about electron diffraction in materials.
Questions related to transport phenomena (e.g. charge transfer, heat conduction, molecular diffusion).
For questions about using the Psi4 Quantum Chemistry Package.
Questions relating to entropy. The entropy S, of a physical system, is related to the number of possible microscopic configurations of that system. It is also a measure of disorder in a physical syste…
Questions about ab-initio molecular dynamics (AIMD).
Questions about metals.
Questions about conceptual DFT.
Questions about reaction mechanisms.
Questions about high-precision or high-accuracy calculations (even though these two things don't meant he same thing, they are related enough to fit in one tag for now).
Questions about PAW.
Questions about spin polarization.
Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis.
Questions about elasticity of materials.
For modeling of H2O or H2O clusters.
For questions related to the program wannier90, a program that calculates maximally localized Wannier Functions
For questions about (or related to) the Hubbard model.
For questions about modeling the adsorption, the process of molecules attaching to a solid surface.
Questions about the ATAT software.
For questions about (or involving) the MRCC electronic structure software package.