workfunction

KO | EN

gitlite — search

#javascript #hacktoberfest #react #typescript #golang #go #machine-learning #docker #macos #kubernetes #awesome-list #mcp #ios #open-source

(★ 20)

Calculate the planar averaged electrostatic potential for the density functional theory code VASP (Version 5 compatible)

workfunction 최신버젼 다운로드

최종 버전 다운로드 (.zip)

// repository documentation

Was this content helpful?

★ 0 (0 ratings)

Workfunction
============

A Fortran program to calculate a 1D planar averaged electrostatic potential from a 3D potential grid for the density functional theory code VASP. It can be used to compute the workfunction (or ionisation potential) for a material surface or as an alignment technique for comparing the electronic eigenvalues of different systems.

We recommend [MacroDensity](https://github.com/WMD-Group/MacroDensity), which more flexible and powerful.

Files
------------
- workfunction_v1.f, pre-2006 as vtotav.f written by Andreas Eichler
- workfunction_v2.f, compatible with VASP5 output, edited by Juarez da Silva and Aron Walsh
- workfunction, a mac binary of v2
- LOCPOT.zip, a sample electrostatic potential

Used in
------------
- [Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory](http://pubs.rsc.org/en/content/articlelanding/2010/jm/c0jm01816c/unauth#!divAbstract) A. Walsh and C. R. A. Catlow, Journal of Materials Chemistry 20, 10438 (2010)

workfunction

workfunction 최신버젼 다운로드

오늘의 추천 프로젝트

Was this content helpful?

Recent Feedback

workfunction

workfunction 최신버젼 다운로드

오늘의 추천 프로젝트

Was this content helpful?

Recent Feedback

Download README