GitHub

Gutzwiller-DFT Method Implementation

This project implements the Gutzwiller variational approach for treating strong electronic correlations in quantum many-body systems. The method combines Density Functional Theory (DFT) with the ...
GitHub

A python program for calculating elastic tensor and modulus, connecting with DFT software ABACUS or MD software LAMMPS. Energy finite differential method for calculating stress ...

计算弹性常数矩阵的方法有Energy-Strain拟合的方法，也有Stress-Strain拟合的方法。Energy-Strain ...