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asp_programming_development_self_aggressive_classi
- asp编程开发具有自攻击性的经典代码asp programming development of self-aggressive classic code-vasp programming development of self-aggressive classic code
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.
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 co
vasp_band
- 此软件用于将第一性原理计算结果中获得的能带结构有windows系统下可视化显示,并进行相应的分析.-This software is used to obtain first-principles calculations of the energy band structure of visual display windows system, and the corresponding analysis.
phonopy-0.9.1.4.tar
- 在vasp软件里面计算声子的文件。声子计算主要用于计算晶格受到温度影响下的振动。-Calculated in software inside the phonon vasp file. Phonon calculations are mainly used to calculate the temperature under the influence of lattice vibrations.
vasp2cif
- 将vasp POSCAR转换为 cif 格式的软件-Conversion vasp POSCAR to cif format
pos2xyz
- 将vasp结构文件POSCAR转换为xyz格式的软件-converts vasp structure file POSCAR to xyz format
CellToPOS.pl
- uses for VASP. change .cell file to POSCAR-ses for VASP. change .cell file to POSCAR
convasp
- convasp 转换vasp文件 vasp文件检查-convasp conversion vasp file vasp file check
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
dl2vasp
- converts dlpoly config to vasp poscar file. source code in fortran. converts dlpoly config to vasp poscar file. source code in fortran. -converts dlpoly config to vasp poscar file. source code in fortran. converts dlpol
VASP2cif_5.2
- 用于vasp5.2的POSCAR和CONTCAR转换成cif格式结构文件-TO convert POSCAR and CONTCAR of VASP5.2 to cif type file
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
car-pos
- car格式文件转换为poscar格式文件 car是有ms中产生的数据，经此程序转换后可以方便的生成poscar格式，给vasp使用-car format files into the format car poscar have ms data, converted by this procedure can be easily generate poscar format to the vasp
xcrysden-1.5.53.tar
- 一块用来解决vasp中能带处理的软件，其功能很强大，使用简单-One used to solve vasp band processing software, its function is very powerful, simple to use
comcon-car
- vasp poscar文件到CAR 文件-vasp poscar file to the CAR file
giveAtomPosition
- vasp做纳米材料的结构优化后，OUTCAR中最后的原子坐标可以用这段fortran代码来执行提取。-optimization of the structure of nanomaterials vasp do, OUTCAR final atomic coordinates can be used during this fortran code to perform the extraction.
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