V

vasp

Several routes from crystal structure to Heisenberg couplings and critical temperatures, with inputs, checks and contamination diagnostics for VASP and WIEN2k. Docs: https://xrocquef.gitlab.io/mag4/

This repository contains all the required files to run ioChem-BD software using Docker.

環境毎に設定を書き直さなくていいスクリプト集。

Collection of C++ objects for algorithmic manipulation of VASP runs