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关 键 词：wien2k百度云盘
行 业：IT 软件 身份证书管理系统
发布时间：2022-01-12
北京天演融智软件有限公司（科学软件网）前身是北京世纪天演科技有限公司，成立于2001年，专注为国内高校、科研院所和以研发为主的企事业单位提供科研软件和服务的国家。
The ``muffin-tin`` approximation used in early band calculations corresponds to retaining only the L=0 and M=0 component in the first expression of equ. (9) and only the K=0 component in the second. This (much older) procedure corresponds to taking the spherical average inside the spheres and the volume average in the interstitial region.
X-ray structure factors are obtained by Fourier Transformation of the charge density.
Wien2k使用密度泛函理论计算固体的电子结构。它基于键结构计算准确的方案——完全势能（线性）增广平面波((L)APW)+局域轨道(lo)方法。在密度泛函中可以使用局域（自旋）密度近似(LDA)或广义梯度近似(GGA)。它已被近3000个用户组授权，在Google scholar上有大约12000个引用。
Wien2k包含很多Frotran90立程序，通过C-脚本连接到一起。您不仅可以在任何www-浏览器和w2web界面上运行Wien2k,也可以输入的短命令来运行。
In the last years it became a tradition to have at least one "WIEN-workshop" every year, where new and experienced users can learn more about the code, get intensive hands-on training, interchange ideas and share experiences.
The program package WIEN2k allows to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, one among the most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme including relativistic effects and has many features. It has been licensed by more than 3000 user groups and has about 12000 citations on Google scholar (Blaha WIEN2k).
，专注，专心是科学软件网的服务宗旨，开发的软件、传递前沿的技术、提供贴心的服务是我们用实际行动践行的至高目标，我们会为此目标而不懈努力。
