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lev00_2.45c.tar
- 已经编译好的levoo程序，用于vasp结果分析。已经编译好的levoo程序，用于vasp结果分析。
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.
nebmake
- 通过VASP计算表面反应的过渡态，得到MEP曲线-Calculated by VASP surface reaction transition state by MEP curve
car2cif
- 将VASP输入/输出结构文件（POSCAR/CONTCAR)转换为MS可读的.cif文件-This program transforms the CONTCAR/POSCAR file data form to a *.cif file which can be read by MS or other softwares.
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! ! !
blacstester
- linux下量化计算需要的数学函数库，例如vasp ,siesta等量化软件并行编译需要的库函数。-The BLACS (Basic Linear Algebra Communication Subprograms) project is an ongoing investigation whose purpose is to create a linear algebra oriented message passing interface that may be implemented ef
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
vtstcode
- the program is a important tool for vasp
vtstscripts_0.9
- the program is a important tool for vasp file convert
bandgap
- 通过分析VASP计算结果，计算整个体系的能带结构-VASP results by analyzing the calculated band structure of the whole system
chgdiff
- 通过分析VASP计算结果，计算表面吸附的差分态密度-By analyzing the VASP calculations, calculation of the differential adsorption density of states
pos2cif
- 通过将VASP计算得到的POSCAR，转化为用MS可以直接可视化的结构-Calculated by VASP POSCAR, with MS can be directly translated into the structure of visual
vasputil-5.4.tar
- utility for vasp works in linux machines whit 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-poscar2lammps
- 可将VASP中的POSCAR转化为lammps识别的晶胞文件。-the POSCAR of VASP can be converted to identification cell in lammps.
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.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.)
OUTCARtoxyz
- 将VASP的OUTCAR文件中的坐标提取出转为xyz文件(Extract the coordinates from the OUTCAR file of VASP to the XYZ file)
pbnd
- 该脚本用于处理VASP计算的能带数据，需要EIGENVAL(it is used to solve the band data from VASP)
wannier90-1.2.tar
- Wannier90应与电子结构代码结合使用，以计算哈密顿算子的本征态。 目前，据我们所知，以下电子结构代码与Wannier90接口：VASP，QE，AbInit，SIESTA等。而Wannier90-1.2是目前可以成功内嵌于VASP的版本。(Wannier90 should be used in conjuction with an electronic structure code for calculating the eigenstates of the Hamiltonian oper