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1.5.0版本更新如下：
* Added a new feature to export the MAGNETIC_MOMENTS.cif file, which includes detailed information about magnetic moment vectors (task 629).
* Introduced the ability to read and calculate piezoelectric properties (tasks 442-443).
* Implemented the feature to read phonon dispersion from OUTCAR file (task 952-964).
* Enabled rotation of selected atoms around a specified rotation axis (task 408).
* Implemented the ability to add atoms at specified positions (task 409).
* Added support for calculating elastic constants and mechanical properties, integrated with the ABACUS code (task 84).
* Users can now reverse the order of selected atoms.
* Improved file handling by reading environment variables from the /etc/vaspkit file if the ~/.vaspkit file is not found.
* Introduced support for constructing nanowire and quantum-dot models.
* Implemented the feature to substitute selected atoms (task 410).
* Added the capability to calculate bond length distributions (task 730) and angle distributions (task 731).
* Upgraded the plot utility for improved visualization.
* Fixed a bug related to generating suggested k-paths for systems with dozens of atoms (task 303).
* Resolved an issue causing incorrect total atom numbers in the ORTHOGONALCELL_LIST file during the construction of an orthogonal supercell (task 800).
* The POSCAR2other converter will no longer be upgradeable in future version of VASPKIT. Instead, an improved structure converter will be implemented in ATOMKIT code. For more information, please visit https://vaspkit.com/atomkit.html.
* Implemented various minor bug fixes and optimizations to enhance overall performance and stability.
Linux版本下载地址（百度网盘）
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发表于 2024-1-2 17:39:34
发表于 2024-1-2 17:46:31
