VASPKIT 1.4.1预览版发布

vaspkit

1.4.1版本主要以修复bug为主，更新如下：

* Added a new feature to calculate the line profile of charge density or potential files (tasks 318 and 425);
* Corrected the criteria for Cauchy Pressure and Kleinman’s parameter;
* Fixed a bug related to reading XDATCAR file;
* Fixed a bug related to writing wavefunction in real-space (tasks 511-516);
* Fixed a bug related to writing KLABLES file in band-unfold calculations (tasks 281-285);
* Fixed a bug related to writing SLME.dat file (task 719).
* Fixed a bug related to extracting projected density-of-states in non-collinear calculations;
* Minor bug fixes and optimizations.

目前仅提供LINUX版本大家测试，欢迎反馈改进建议。 vaspkit.1.4.1.linux64.tar.gz (4.39 MB, 下载次数: 8)

2023-3-17 14:40 上传

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