gpaw-tools is a bunch of higher-level user interaction python scripts for easy performing of GPAW calculations. It is mostly written for new DFT users who are running codes in their own PCs or on small group clusters.
quickoptimization.pyfor preliminary calculations using ASAP3/OpenKIM potentials.
ciftoase.pyscript for transform CIF files to ASE's own Atoms object.
gpawsolver.pywhich can be run in PW, PW-GW, EXX or LCAO mode. It can do strain minimization, can use several different XCs, can do spin-polarized calculations, can calculate, draw and save tidily DOS and band structures, can calculate and save all-electron densities and can calculate optical properties in a very simple and organized way.
gpawsolve.py(and also you may say that GUI for GPAW) which is called
This project is licensed under the terms of the MIT license.