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largechernnumber

macrodensity

Analyse VASP density & potential grids using python

markdown-syntax-cn

Markdown 语法简体中文版（fork 于繁体中文版 http://markdown.tw/ ）

matdesinne

Inverse materials design via invertible neural networks

matplotlib

mcsolver

A user friendly tools using Monte Carlo simulations for estimation of Curie temperature

mdcthermalc

A software to calculate thermal conductivity quickly and accurately

mknt

A nano-tube generation program

montecarlo

multizone_phonon_refinement

Fit phonon data from many Q-points, which come from the same reduced-q. By simultaneous fitting of many Brillouin Zones, good results can be achieved.

ncrystal

NCrystal : a library for thermal neutron transport in crystals

negf

Non-equilibrium green's function method

ovilia

Read Ovilia

papers

Full data of our published papers

papers-1

Full data of our published papers

phonon_bandplot

Plot phonon band structure and fix the ordering problem in Phonopy

phonons

A collection of structures, force constants and phonon data obtained from first-principles calculations

phononsed

Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors

powdertas

PowderTAS is a simple Matlab code to calculate neutron scattering cross-sections of powder samples, represented as Q-E scattering maps, using eigenvectors from phonon calculations as input.

prm

PRM (Positional Recurrence Map), is a Matlab code to post-process ab initio molecular dynamics trajectories obtained with VASP, in order, notably, to calculate neutron-weighted spectra.

python_wan_code

second version

quantumsoc_trap_case

quantumsoc_trap_case_cxx

qubit_topologies

Simulate spin-1/2 particles on different topological surfaces

ramanpy

Raman tensor calculation using finite displacement method

remoc

Forked from jigroupruc/ReMoc https://gitee.com/jigroupruc/ReMoC

research-group

scsbz

Mean-field self-consistent equations for slave-boson superconductivity.

soc_cavity_dispersion

In collaboration with Chuanzhou.

sod

Site-Occupation Disorder