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Resources for topological insulator calculations
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As an auditor, we often face repeated boring data processing problems. Here are some of the problems I have solved. I hope that this project will have more people to fork and help more auditors.
A Julia package for calculating topological numbers
Utilities used to translate WAVECAR in vasp
The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.
A collection of examples for running different types of VASP calculations.
An updated version of the VASP2WANNIER90v2 interface
a python class for dealing with VASP WAVECAR.
Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等
A Python suite for manipulating VASP input and output
Julia code for the computation of Wannier functions
python realization of some of postw90 functional.
use wannier functions to get the surface state of slab system or edge state of nanowire system or just bulk band, especially useful for topological insulator
Calculate the planar averaged electrostatic potential for the density functional theory code VASP (Version 5 compatible)
我的博客网站分享的一些内容
Monte Carlo simulation on 2D XY-model
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