VASPKIT 1.4.0版本

vaspkit · 发表于 2022-9-29 16:31:57

1.4.0版本更新如下：
* Added computational 2D semiconductor and heterostructure databases (tasks 702 and 703);
* Added a new feature to find orthogonal supercell (task 800);
* Added a new feature to calculate stacking-dependent potential energy surface of few-layered nanosheets and find the most stable stacking order (task 926);
* Added a new feature to generate 2D slice of charge density or potential files (tasks 300 and 420);
* Added a new feature to calculate spatially-resolved density of states (tasks 123-126);
* Upgraded the normalized radial distribution function (RDF) utility (task 726);
* Upgraded the normalized vibrational density of states utility (task 728);
* Upgraded plot utility to support the 3D visualization of angular-dependent effective-mass (task 914), elastic properties (task 204) and magnetic anisotropy (task 621);
* Fixed a bug related to reading PROCAR file;
* Minor bug fixes and optimizations.

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欢迎反馈bug和改进建议，再次感谢大家支持。

其中画图模块新增如下功能：

xinlixi · 发表于 2022-9-29 23:10:19

好东西

ww12 · 发表于 2022-11-2 19:38:20

感谢大佬改进

alwens · 发表于 2022-11-2 21:52:18

谢谢，很好的软件

xxx007980635247 · 发表于 2022-11-3 02:16:26

谢谢大佬

JYM-IMR · 发表于 2022-11-3 10:24:23

666，感谢

mantianwuyu · 发表于 2022-11-3 21:17:02

热烈欢迎新版本

plianghust · 发表于 2022-11-4 12:31:12

想试用一下

chengjvn · 发表于 2022-11-5 12:51:47

十分感谢大佬改进分享

lcq845402558 · 发表于 2022-11-5 21:01:07

支持支持~

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