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计划更新vaspkit，欢迎拍砖... 已有1人参与
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记得09年我花了一周时间写了vaspkit, 那时候对fortran还不熟悉，之后由于忙碌的缘故，vaspkit再没有更新。一些同仁曾写email问我vaspkit是否有新版本，鉴于一些朋友的鼓励和我的需要，我打算近两个月更新一下vaspkit, 增加一些新的功能。借此抛砖引玉，希望更多对此有兴趣的同仁能够参与其中，vaspkit主页见http://vaspkit.sourceforge.net。 vaspkit-0.20 预览版功能如下： +---------------------------------------------------+ |>>> Postprocesing tool for VASP | | Current version: 0.20 (18.Nov.2013) | |...................................................| |>>> Written by: Vei WANG (wangvei@live.com) | |>>> Code URL: http://vaspkit.sourceforge.net | +---------------------------------------------------+ Choose the problem to solve: =============== Structural options ================== 1: pos2cif or pos2xsf (unfinished) 2: Building supercell (unfinished) 3: EOS fitting =============== Electronic options ================== 11: Total DOS 12: Projected DOS 21: Band Structure 22: Projected Band Structure 31: Charge Density 32: Charge Density Difference (unfinished) 33: Spin density 34: Spin Up/Down Density (unfinished) 41: Work Function =============== Optical options ===================== 51: Linear Optics =============== MISC options ======================== 0: Quit ------------>> [ Last edited by 灯塔守望者 on 2013-11-18 at 21:45 ] |
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2楼2013-11-18 21:17:00