搜索资源列表
vasp tool
- vasp 读取dos 和band的tool
p4vasp_for_windows_install
- 这个windows下可视化晶体结构的软件,可用于构造晶体,界面,表面...对于做第一性原理初始模型的构建以及结果的可视化分析特别有用处.-Under the windows crystal structure visualization software can be used for the crystal structure, interface, surface ... do first principles for the construction of the initial mode
pos2xyz
- VASP输出程序，将POSCAR转换成XYZ文件格式 -convert POSCAR to XYZ format
defvector-1
- 使用Vasp做计算的时候，计算弹性常数C11的程序-To calculate the elastic constant C11
25-28qcompare
- vasp软件计算,吸入co2前后对比图，对比了态密度图和能带图-vasp describe the obsorbed
split
- 分离VASP计算得到的DOSCAR文件，将每个原子的计算结果分开输出-split the DOSCAR from the result of VASP
dosbyYZhu
- vasp计算软件，计算设置LORBIT=10时的态密度-Deal with the density of states from VASP calculation with LORBIT=10
vaspak
- SP是维也纳大学Hafner小组开发的进行电子结构计算和量子力学-分子动力学模拟软件包。本程序用于产生vasp程序用的k点-SP is the University of Vienna Hafner team developed the electronic structure calculations and quantum mechanics- molecular dynamics simulation package. This procedure is used to generate
vaspandk
- vasp后期处理程序，可以得到最后的k文件，并输出最终结果-vasp post-processing can give the final k, and output the final result
bader.tar
- bader电荷分析,可以直接分析CHGCAR，用于分析VASP计算结果，非常好用-bader charge analysis
vasp.5.4.4.tar
- A code implementing the Projector Augmented Wave approach
vasp.5.4.1.tar
- A package implementing the PAW approach
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.4.6.tar
- 软件为第一性原理计算态密度理论计算包，由维也纳大学开发，使用注意版权。(DFT packages for material calculations.)
band
- 本程序用于数据处理功能，主要是针对VASP材料计算，对数据结果进行处理画出能带图。(This program is used for data processing function, mainly for VASP material calculation, data processing and drawing energy band diagram.)
ktool
- vasp KPIONT generation