搜索资源列表
vasp.pdf
- 用于看vasp的输出图像,htm输出的格式。这是个很好用的软件,也比较好,希望大家喜欢-to see the output image, htm output format. This is a very good use of software, and also quite good, hope you like
vasp tool
- vasp 读取dos 和band的tool
phon
- 计算晶体材料的声子谱,结合vasp第一原理的平面波赝势软件使用。-Calculate the phonon spectrum of crystal materials, combined with vasp first principle pseudopotential plane wave software.
vasp.4.6.tar
- vasp4.6的源文件 for linux(已测试)-vasp4.6 of the source file for linux (tested)
lev00_3.08-forusers
- vasp data processing
vasp.5
- 做材料计算用的VASP软件,本人仅用于个人使用,不是商业用户-As raw material in the VASP calculation software, I used only for personal use, not business users! ! !
wxdragon
- 用于分子/晶体图形显示和编写输入文件的图形界面程序 可以显示Gaussian 92/94/98(结构,电荷,结构优化,振动,轨道,cube文件) ADF(结构,电荷,结构优化,振动) Turbomole(结构,电荷,振动) Gamess-UK(结构,电荷,振动) VASP(结构,电荷,mdsim,ELF密度,电荷密度,LOCPOT密度,DOS) LMTO(结构,DOS-、BNDS-、COHP特性,RHO和ELF文件) CPMD(结构和密度文件) MPQC(结构,电荷)
vaspkit-0.14.tar
- 主要功能有: 1,把POSCAR 或者CONTCAR转化为cif 或xsf格式; 2,提取电荷,自旋密度,使用vesta软件可视化。 3,提取总,偏态密度,以及t2-e态密度 4,提取总能带或其中某一原子的某一轨道的能带(投影能带)。 文件输出格式: 1,结构可视化文件输入文件为poscar.cif 或contcar.cif, 用MS, VESTA或其它可视化软件软件打开; 2,输出总态密度文件为tdos.dat, 偏态密度文件为pdos.dat, 使用orig
vasp
- vasp的说明书 在计算化学中得到了广泛的应用-vasp
VASP
- vasp sofeware for liunix.If your are a physical student, it is very useful for you. you can calculation the properties of the physic system ,such as the electronic properties -vasp sofeware for liunix.If your are a physical student, it is very usef
VASP the GUIDE
- 用于看VASP的输出图像,htm输出的格式(Used to look at the output image of VASP, the format of the HTM output)
flow-vasp-4.0
- 流程化执行vasp,只要准备好相关的文件,自动执行计算并给出结果(Process the implementation of vasp, as long as the relevant documents ready to automatically calculate and give the results)
vasp.5.4.1.05Feb16.tar
- vasp,功能强大的第一性原理计算软件,请注意版权(The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.)
vasp.5.lib_.tar_2
- vasp 第二个安装文件,与第一个同时使用。使用时请注意版权(The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.)
vasp installation
- vasp install, 各种配置文件修改,所需软件等。(vasp installation, a guide to install vasp in the computer.)
vasp usage
- 有关vasp的讲义,还不错,建议看一下。(how to use vasp, about the vasp.)
VASP二维能带
- VASP二维能带的画图,帮助你进行二维能带绘图(Drawing of VASP two dimensional ban)
VASP中文教程
- 计算软件VASP的中文使用教程,包含建模、计算、参数设置、能带分析等等等(Calculation software VASP Chinese use tutorial, including modeling, calculation, parameter setting, energy band analysis and so on)
vasp硬核物理知识、固体物理教程
- VASP第一性原理计算的案例,通过编程以及VASP软件实现计算。(The first principle calculation case of VASP is realized by programming and VASP software.)
VASP-AIMD-Tutorial6
- VASP-AIMD教程,基本原理和水分子算例(VASP-AIMD tutorial, foundamental theorem and a H2O example)