VASPKIT 1.4.1版本

vaspkit · 发表于 2023-4-28 15:36:54

1.4.1版本更新如下：
* Added a new feature to calculate the line profile of charge density or potential files (tasks 318 and 425);
* Added new parameters REDUCE_FERMISURFACE_FILE and WEIGHT_THRESHOLD in the ~/.vaspkit file. More details can be found in the how_to_set_environment_variables file;
* Upgraded the surface builer utility (task 803);
* Upgraded the plot utility;
* Upgraded the VASPKIT logo;
* 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.

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mantianwuyu · 发表于 2023-4-28 15:39:55

期待更好、更强大！

xingqiangshi · 发表于 2023-4-28 18:39:58

期待更好、更强大！

Miles · 发表于 2023-4-28 18:46:43

期待新版本，期待更强大

xinlixi · 发表于 2023-4-28 19:54:42

xiexie

ww12 · 发表于 2023-4-28 20:12:46

感谢作者

xuyangmark · 发表于 2023-4-29 13:34:19

更新速度好快啊

xiaolaohu · 发表于 2023-4-29 16:32:29

真的很好，很支持

zhaoshuai · 发表于 2023-5-5 09:31:14

谢谢大佬更新SLME

dalestar · 发表于 2023-5-5 21:41:11

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