gaozhibin的个人博客分享 http://blog.sciencenet.cn/u/gaozhibin

博文

P4VASP 简介

已有 9621 次阅读 2016-1-23 19:35 |个人分类:科研路漫漫|系统分类:科研笔记

P4vasp主要用于查看各类计算性质,主要用途如下:


a)查看电子结构DOS  能带;(用的较多)
b)表面静电势的输出;(用的较多)
cSTM表面输出
dK点、动力学数据的输出(用的比较少)

p4vasp is a visualization suite for the Vienna Ab-initio Simulation Package
(VASP). It contains an extensible GUI framework, that can be used to view
material structure, density of states, band-structure and more.
.
It provides a Python library, that greatly simplifies the process of
manipulation of the VASP input and output data in Python scripts. P4vasp
utilizes also many handy routines and objects e.g. for creating 2D graphs,
data storage (xml,DOM) or simple matrix library.




https://wap.sciencenet.cn/blog-1524047-952105.html

上一篇:VASP 加电场
下一篇:P型半导体和N型半导体
收藏 IP: 222.66.175.*| 热度|

0

该博文允许注册用户评论 请点击登录 评论 (0 个评论)

数据加载中...

Archiver|手机版|科学网 ( 京ICP备07017567号-12 )

GMT+8, 2024-6-3 21:15

Powered by ScienceNet.cn

Copyright © 2007- 中国科学报社

返回顶部