E. Projected Augmented-wave Method. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953.Blochl PE (1994) Projected augmented-wave method. Phys Rev B 50(24):17953-17979Blochl, P. E. Projected Augmented-Wav
This chapter reports on a study of electro-structural correlation and elastic properties of some nanolaminated ternary carbides 211MAX phases through first principles all-electron full potential linearized augmented plane wave calculations and projected augmented wave method. It has been shown that the str...
量子力学中常用的基组有两种,一个是原子轨道(atomic orbital, AO)基,一个平面波(plane wave, PW)基,他们的作用就跟泰勒展开中的幂函数、傅里叶级数中的三角函数起到的作用是一样的,就是为了把波函数ψ(x)写成基函数的线性组合的形式: ψ(x)=∑iχi(x)ci 其实,平面波基组本质上就是傅里叶级数展开。要...
首先，我们要理解几个基本概念：泛函（PBE）、赝势（PAW）和基组（PW）。它们在VASP计算中互不相关，但常组合使用。PBE泛函，PAW赝势，PW基组是日常计算常用的算法组合。每个算法都可替换为其它等效算法。例如，计算带隙时可使用HSE泛函，早期未广泛使用PAW时，文献中可能采用USPP（超软赝势），对于非周期...
求翻译:projected augmented wave是什么意思?待解决 悬赏分:1 - 离问题结束还有 projected augmented wave问题补充:匿名 2013-05-23 12:21:38 投影缀加波 匿名 2013-05-23 12:23:18 预计增加波 匿名 2013-05-23 12:24:58 计划的被增添的波浪 匿名 2013-05-23 12:26:38 预计增的波 匿名 ...
ultrasoft and projected augmented wave 选择语言:从中文简体中文翻译英语日语韩语俄语德语法语阿拉伯文西班牙语葡萄牙语意大利语荷兰语瑞典语希腊语捷克语丹麦语匈牙利语希伯来语波斯语挪威语乌尔都语罗马尼亚语土耳其语波兰语到中文简体中文翻译英语日语韩语俄语德语法语阿拉伯文西班牙语葡萄牙语意大利语荷兰语瑞典语希腊语捷克...
strongly in the Middle East, augmented by rising temperatures, decreasing removal by rain and the emergent fossil energy consumption for air conditioning and desalination. The combination of anthropogenic air pollution with the abundant desert dust in the region leads to an extensive haze, especially ...
(3-D) display. Also, display620may be a transparent surface that may receive a visual projection. Such projections may convey various forms of information, images, and/or objects. For example, such projections may be a visual overlay for a mobile augmented reality (MAR) application. Under ...
Wentzcovitch, Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE = La-Lu), Comput. Mater. Sci. 95 (2014) 263-270. http://dx.doi.org/10.1016/j.commatsci.2014.07.030.Topsakal, M.; Wentzcovitch, R. M., Accurate projected augmented wave (PAW) datasets for ...
Gervais, C.; Bonhomme-Coury, L.; Mauri, F.; Babonneaua, F.; Bonhomme, C. GIPAW (Gauge Including Projected Augmented Wave) and Local Dynamics in 13C and 29Si Solid State NMR: The Study Case of Silsesquioxanes (RSiO1.5)8. Phys. Chem. Chem. Phys. 2009, 11, 6953-6961....