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- -ftree-parallelize-loops=NPROC
- ARTEMIS: Ab initio Restructuring Tool Enabling the Modelling of Interface Structures
- ARTEMIS CODE
- ARTEMIS MANUAL
- ARTEMIS WISHLIST
- Band alignment
- Band alignment of transition metal dichalcogenide heterostructures
- Band diagrams
- Colossal permmitivity
- Computational analysis of the enhancement of photoelectrolysis using transition metal dichalcogenide heterostructures
- Experimental fabrication
- First principles electronic and elastic properties of fresnoite Ba2TiSi2O8
- First principles study of layered scandium disulfide for use as Li-ion and beyond-Li-ion batteries
- First principles study of layered transition metal dichalcogenides for use as electrodes in Li-ion and Mg-ion batteries
- Fortran quick tips and version tricks
- Git repository management
- HRGCODES
- HRGHowto
- HRGMembers
- HRGPublish
- HRGResearch
- How to calculate electron-phonon interaction
- How to calculate heat flow
- How to calculate the Fermi energy for a simple metal, given a charge density
- How to calculate the NEB diffusion barrier
- How to calculate the dielectric constant in VASP
- How to calculate the energy correction for charged defects
- How to calculate the formation energy of various systems
- How to calculate work function, electron affinity and Schottky barriers
- How to do simple parallelise loops on single node machines - concurrent
- How to fit a potential using GULP and LAMMPS
- How to include different bits of code at the compilation step -
- Input file
- Jmol to display vibrational modes
- Link to departmental info etc
- Main Page
- Materials databases
- OldMainPage
- Permittivity
- Phase Stability and Electronic Properties of Hybrid Organic–Inorganic Perovskite Solid Solution (CH(NH2)2)x(CH3NH3)1–xPb(BryI1–y)3 as a Function of Composition
- Quantum Espresso
- RAFFLE CODE
- Solvothermal synthesis of Sn3N4 as a high capacity sodium-ion anode: theoretical and experimental study of its storage mechanism
- The Cohesive energy of a silicon
- The Potential of Overlayers on Tin-based Perovskites for Water Splitting
- The cohesive energy of Iron
- The formation energy of the silicon (001) surface
- Transition Metal Dichalogenides
- Van Hove singularities