maituoy

BayesianOpt4dftu

11785-FGVC

Repo for the course project of 11785 Introduction to Deep Learning

ConvNeXt

Code release for ConvNeXt model

VASP2WAN90_v2_fix

Fixing the VASP2WANNIER90v2 interface

VASPBERRY

Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code

15688

vaspvis

A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.

QMM

pyband

band plot using python matplotlib

bandstructureplots

Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.