如题, 我把vaspkit.0.50测试版可执行程序(linux64位)放出来供有需要的同行测试,晚点时候放出源代码,见https://sourceforge.net/projects/vaspkit/ 。由于时间有限,难免存在bugs,献丑了,请大家多提宝贵建议。
=============== Structural Options ==================
2) Atom Positions with Random Displacements (新增)
3) Structure Converting (扩充) 4) Supercell Building
5) EOS Fitting 6) Symmetry Toolkit
8) K-Mesh Generating
9) Band-Structure Path Generating (experimental) (新增)
=============== Electronic Options ==================
11) Total DOS 12) Projected DOS
13) l-m Decomposed DOS
21) Band-Structure 22) Projected Band-Structure
23) 3D Band-Structure for Two-Dimensional Materials (新增)
24) One Specific Band-Structure (新增)
======== Charge Density & Potential Options =========
31) CHG Density 32) Spin Density
33) Spin-Up & -Down Density
34) CHG Difference 35) Spin Density Difference
41) Planar-Average CHG 42) Planar-Average POT
=============== Optical Options =====================
51) Linear Optics
================ Misc Utilities =====================
91) Semiconductor Calculator (新增)