搜索资源列表
mmsV120_ROY
- 当VASP发送MM7SubmitReq消息给MMSC成功后,VASP可以发送替换消息,以替换之前所发送给MMSC的消息。具体构建替换消息见4.2.2.3。-when sending news to MM7SubmitReq MMSC successful, Feature replacement can send information to replace before MMSC sent to the news. Construction of the replacement concret
vasp.4.6.tar
- vasp4.6的源文件 for linux(已测试)-vasp4.6 of the source file for linux (tested)
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
vasputil-5.4.tar
- utility for vasp works in linux machines whit vasp
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
vaspgui-0.04
- for vasp code and interface of vaspe 4.5.1
phonopy-0.9.1.4.tar
- 在VASP中主要是用于晶格震动计算,得出声子谱(Lattice vibration calculation)
vasp.5.4.4.tar
- A code implementing the Projector Augmented Wave approach
vasp.5.4.1.tar
- A package implementing the PAW approach
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.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.)