网站综合信息 www.dftb.org
- 标题:
- DFTB - Density Functional based Tight
- 关键字:
- DFTB density functional based tight binding quantum mechanics fast eff
- 描述:
- Homepage of the DFTB method.
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域名注册Whois信息
dftb.org
域名年龄: 20年24天注册时间: 2005-04-13
注 册 商: Mesh Digital Limited
注册邮箱: h2931071
联系电话: +49.42162340
获取时间: 2016年10月12日 04:50:58
Domain Name: DFTB.ORG
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HTTP/1.1 307 Temporary Redirect 访问时间:2016年10月15日 06:58:11 服务器:Apache/2.2.22 (Debian) 语言环境:PHP/5.4.45-0+deb7u5 目标网址:http://www.dftb.org/home/ 动作:Accept-Encoding Content-Encoding: gzip 文件大小:20 Keep-Alive: timeout=15, max=100 连接:Keep-Alive 类型:text/html HTTP/1.1 200 OK 访问时间:2016年10月15日 06:58:11 服务器:Apache/2.2.22 (Debian) 语言环境:PHP/5.4.45-0+deb7u5 动作:Accept-Encoding Content-Encoding: gzip 文件大小:2659 Keep-Alive: timeout=15, max=99 连接:Keep-Alive 类型:text/html; charset=utf-8 网站编码:utf-8
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抓取时间:2016年10月15日 06:54:22
网址:http://www.dftb.org/
标题:DFTB - Density Functional based Tight Binding
关键字:DFTB,density functional based tight binding,quantum mechanics,fast,efficient,modelling
描述:Homepage of the DFTB method.
主体:
网址:http://www.dftb.org/
标题:DFTB - Density Functional based Tight Binding
关键字:DFTB,density functional based tight binding,quantum mechanics,fast,efficient,modelling
描述:Homepage of the DFTB method.
主体:
DFTB+ Density Functional based Tight Binding (and more) HomeAbout DFTBCodesParametersContactSitemap Username Password Forgot your password? Welcome to DFTB! This site contains some information about the Density Functional based Tight Binding (DFTB) method which is a fast and efficient quantum mechanical simulation method. It is implemented in the DFTB+ program and in several other program packages. For a (non complete) list of the available codes, see the implementations subpage. This site also offers parameters (Slater-Koster files) for the DFTB method. They are free for academic, educational and non-profit research. For commercial usage please contact us directly. Electronic parameters for accurate Si band structure 2016-07-07 The set siband contains electronic parameters (no repulsives so far) for accurate description of the band structures of bulk Si, bulk SiO2 and various Si/SiO2 heterostructures. New sets auorg and magsil available 2016-03-22 Two new sets are available:auorg: created to describe thiolates on gold clustersmagsil: created to describe chrysotile nanotubes Organic/biological set for DFTB3 extended 2015-07-21 The new biological/organic Slater-Koster set 3ob had been extended with further elements. It includes now interactions of the elements Br, C, Ca, Cl, F, H, I, K, Mg, N, Na, O, P, S, Zn.
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