文件名称:p4vasp-0.3.30
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- 上传时间:2020-02-22
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文件大小:10.21mb
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已下载:1次
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介绍说明--下载内容来自于网络,使用问题请自行百度
Features
Open source, GPL license.
Written in python (and a bit of C++), supports Linux, Windows, macOS/OSX.
Support of most VASP file formats.
Displays structure, unitcell, supercell, charge/probability/spin density, local potential, forces, velocities, dynamics, measure distances and angles.
Simple structure editor, supports both Cartesian and direct coordinates. Building of supercells and crystal surfaces via cell replication.
Analyze electronic properties, total and local DOS and band structure.
Simulation of STM images (constant current and constant height).
Brillouin zone and K-points visualization.
Inspection of convergence - size of free energy and selected forces along relaxation path.
Phonon properties - dispersion, velocity autocorrelation.
Interactive plots and 3D displays with export to various formats.
Database support.
Open source, GPL license.
Written in python (and a bit of C++), supports Linux, Windows, macOS/OSX.
Support of most VASP file formats.
Displays structure, unitcell, supercell, charge/probability/spin density, local potential, forces, velocities, dynamics, measure distances and angles.
Simple structure editor, supports both Cartesian and direct coordinates. Building of supercells and crystal surfaces via cell replication.
Analyze electronic properties, total and local DOS and band structure.
Simulation of STM images (constant current and constant height).
Brillouin zone and K-points visualization.
Inspection of convergence - size of free energy and selected forces along relaxation path.
Phonon properties - dispersion, velocity autocorrelation.
Interactive plots and 3D displays with export to various formats.
Database support.
(系统自动生成,下载前可以参看下载内容)
下载文件列表
压缩包 : p4vasp-0.3.30.gz 列表
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