ecaljdoc

This is a documents for ecalj package at github/tkotani/ecalj : xxx under construction xxx

Quasi-particle self-consistent 𝘎𝘞 methods

First-principles electronic structure calculations to determine the best independent particle picture for describing electronic excitations

Material properties

Linear responses. Wannier and MLO modelling. Spectrum functions, life time due to e-e scattering.

Easy to use

ecalj is based on the th PMT method, which is a all electron method with LMTO + LAPW, where we use only < 3Ry cutoff for APW. Automatically applicable to wide range of materials. Read in POSCAR for VASP (converter). Automatic band path. Plot GW band without the Wannier interpolation.