quansilong Goto Github PK

dft_qe_beginner_tutorial

Esercitazioni DFT con quantum espresso

dft_tutorial

dftbook

An introduction to DFT.

dos_and_band_plot

downkyi

哔哩下载姬downkyi，B站视频下载工具，支持批量下载，支持4K，支持解除地区限制下载，提供工具箱（音视频提取、去水印等）。

easyunfold

Band structures unfolding made easy

elastic3rd

Calculate 3rd order elastic constant.

epw-nano

Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-phonon scattering, defect scattering, and phonon drag.

espresso

Notes and tutorials on density functional theory calculations using Quantum Espresso.

espresso-1

Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.

ethiopia2018

fixed_coordinates

A simple script to fix the coordinates of specified atoms in the POSCAR format file, allowing to constraint the motion of these atoms during simulations in VASP.

free

翻墙、免费翻墙、免费科学上网、免费节点、免费梯子、免费ss/v2ray/trojan节点、蓝灯、谷歌商店、翻墙梯子

gappw

A shell script to find band gap from pw.x (Quantum Espresso) output

gbt7714-bibtex-style

GB/T 7714-2015 BibTeX Style

geant4

Geant4 toolkit for the simulation of the passage of particles through matter - NIM A 506 (2003) 250-303

getvaspbandscripys

python script used for getting vasp bands data

gftp

gFTP is a free multithreaded file transfer client for *NIX based machines. 56 language translations available.

gifsicle

Create, manipulate, and optimize GIF images and animations

graphene_tensile_test

LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample

gromacs-input-files

GROMACS input files

gvpw

Harnessing GaussView as a modeling and visualization tool for PWscf

hefei-namd

ab-initio nonadiabatic molecular dynamics program

kproj

KPROJ: A Band Unfolding Program

lammps

Public development project of the LAMMPS MD software package

lammps-graphene

LAMMPS (Molecular Dynamics) Simulation Utilies using SEDREBO Potential Function circa 2013.

lammps-input-files

LAMMPS inputs and data files

lammps-tutorials

LAMMPS tutorials for Beginners

lammps_tools

Some scripting tools used for lammps input or output

lammps_tutorials_for_short_courses

Required LAMMPS and MATLAB files for several molecular dynamics simulations.