搜索资源列表
en
- vasp测试截断能脚本,用与单机和机群，-vasp to test the energy of the cut
DFTD3.tar
- D3DFT code,a useful tools for vasp
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
lev00_3.4-forusers
- 用于VASP分析处理，对差分电荷密度，电荷密度画图等结果处理-VASP for analysis and processing, the differential charge density, charge density, such as the results drawing process
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
GUI_Data
- This is a GUI to navigate and edit VASP input files. Does not work on any directory besides the one I specified before publishing.
xieqing-bandplot
- This program is used to extract the data from VASP band caculations and plot the band structure. It is a good and simple code to plot the band structure.
VESTA-win64
- To get and describe the crystal structure of VASP results
exchangecell
- vasp的POSCAR文件转化脚本，可将一个基矢展开下的POSCAR转化为另一个基矢下的POSCAR.-Change the basis vector in the original into another one.
sd.single
- 该程序可以利用vasp计算软件得到的PROCAR获取体系的杂化因子-abtain the sd index vasp PROCAR file
atlas3.10.2
- ATLAS数学库，可用于vasp等软件包的编译-Compile ATLAS math libraries and other software packages can be used vasp
split_dos
- 这个文件可以处理vasp计算得到的文件DOSCAR，从而可以得到态密度数据文件-This file can be processed file DOSCAR vasp calculated, density of states can be obtained a data file
bader_pgi
- 这个文件可以处理vasp计算得到的文件CHGCAR，从而可以得到原子电荷数据文件-This file can be processed file DOSCAR vasp calculated, density of states can be obtained a data file
vaspbnd
- 这个文件可以处理vasp计算得到的文件，从而可以得到能带数据文件-This file can be processed vasp calculated files, can be obtained band data
vaspbnd2
- 这个文件可以处理vasp计算得到的文件，从而可以得到自旋能带数据文件-This file can be a file processed vasp calculated, which can obtain the spin band data file
plot_graphene
- MATLAB画vasp能带结构，画石墨烯能带结构-MATLAB painting vasp band structure of graphene band structure painting
vaspview-1.05-source
- processing data of vasp
INCAR
- 基于Linux的VASP软件的输入文件代码，用于计算银的介电常数的控制代码。-dielectric constant calculation for VASP
[emuch.net]bands
- VASP中，对能带结构进行可视化的工具程序，非常实用-VASP, and to visualize the energy band structure of utility, very useful