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phasemap

A tool for efficiently calculating discrete phase diagrams.

phonopy

Phonon code

poscar2pw

Python script to convert VASP structure file to PWscf structure lines

pyband

band plot using python matplotlib

pybind11

Seamless operability between C++11 and Python

pybinding

Scientific Python package for tight-binding calculations in solid state physics

pycrystalfield

Code to calculate the crystal field Hamiltonian of magnetic ions.

pygra

Python library implementing tight binding modeling

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pyprocar

A Python library for electronic structure pre/post-processing

pyqt_vasp_stm

pytopomat

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

qsymm

quantum-honeycomp

Package to perform tight binding calculation in graphene systems, with a friendly user interface

qutranpy

User interface to perform quantum transport calculations with non equilibrium Green's functions

rashba_floquet

Spin pumping in periodically driven magnetization in square lattice in presence of Rashba interaction

reproduced-papers

A collection of IPython notebooks with reproduced numerical results of some interesting papers.

rigid_transform_3d

scientific-python-lectures

Lectures on scientific computing with python, as IPython notebooks.

seekpath

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

semicon

k·p simulations made easy

shadowsocks-windows

If you want to keep a secret, you must also hide it from yourself.

spglib

C library for finding and handling crystal symmetries

spin-orbit-effect-in-semiconductors

Simulation of Rashba Effect using Mathematica

strain

A module for applying strain to crystal structures, based on pymatgen.

surfgf

surface green function calculation

symmetry_representation

Describing and constructing symmetry operations and their representations.

symv

symmetry finder

tbfit

Tight-binding parameter fitting package (TBFIT) for Slater-Koster method

tbmodels

A tool for creating and manipulating tight-binding models.