Useful How To’s, Templates, Links etc.
Useful Educational Resources
(10). Yambo Free Lecture Notes
Useful Computational Codes (Some are Free)
(11). WIEN2K– This is an all-electron FP-LAPW.
(12). VASP-This is a pseudo-potential (PAW) basis.
(13). Quantum Expresso – This is a pseudo-potential (PAW) basis.
(14). ABINIT-This is pseudo-potentials and a plane-wave or wavelet basis. FREE STUFF.
(15). BIGDFT -This is pseudo-potentials and a plane-wave or wavelet basis. FREE STUFF.
(16). CRYSTAL– This is an LCAO basis.
(17). GAUSSIAN– This is a Gaussian (LCAO) basis.
(18). BOLTZTRAP– This is based on Boltzmann transport theory for calculating transport properties. FREE STUFF.
(19). SMEAGOL– Based on Keldish Formalism (Non-Equilibrium Green Function) for calculating transport properties. FREE STUFF
(20). WIEN2WANNIER– Interface to many codes to obtain maximally localized Wannier functions. FREE STUFF.
(21). TRIQS– A Toolbox for Research on Interacting Quantum Systems. FREE STUFF.
(22). MANY CODE LINKS HERE– A very elaborate link to many codes too numerous to list here.
(23). ATOMSK– A nice crystal manipulation