shahramyalameha Goto Github PK

3d-winding-number

Tool for computing the phase diagram and gap data of 3D condensed matter systems, via the winding number

aicon2

AICON2: A program for calculating transport properties quickly and accurately

aims2vasp

A simple bash script to convert FHI-aims geometry.in files to a VASP-compatible format

aims2xc-master

aims2xsf: You can visualize geometry.in via xcrysden.

aimstools

Personal collection of scripts to handle FHI-aims calculations.

anisotropic-kappa

The calculation of lattice thermal conductivity based on Slack's model from elastic constant

anisovis

Visualisation of Anisotropy

arxiv-style

A Latex style and template for paper preprints (based on NIPS style)

bandstructure_utils

Utilities for creating, comparing and plotting bandstructures of materials.

boltzgnu

BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data

boltztrap_tools

BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA

brillouin-zones

brillouinzones

Programs for constructing Brillouin zones in three- and two-dimensional space.

bubble-chart-for-gnuplot

This tool generates a bubble chart script for Gnuplot

burai

BURAI, a GUI system of Quantum ESPRESSO

chern_nubmer_calculation

Using different method to calculate Chern number for Haldane model

cif2cell-informal

cif2vasp

Converts (most) CIF files to VASP's POSCAR format

cif2wan

Create wannier functions

citable-data

Data, in citable form, produced by the Coudert research group

cv

My TeX CV built with moderncv.

dft-book

A book on modeling materials using VASP, ase and vasp

dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

dftk.jl

Density-functional toolkit

effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

elast2dk

A User-Friendly Command-Line Utility for Determining Elastic Constants of 2D Materials Using Wien2k

elastic

Calculate elastic properties using VASP

elastic-stability-conditions

A Python package that can verify the necessary and sufficient elastic stability conditions in various crystal systems

elastic_tensor_ml

Machine learning models for predicting the bulk modulus of materials

elasticpost

POST code for second order elastic constant