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vasp计算费米面

已有 9170 次阅读 2018-1-21 22:50 |个人分类:Fermi-Surface|系统分类:科研笔记

1. vasp2x_fs

Generates a.bxsf (XCrysDen Fermi surface format) from VASP outputs. A MATLAB script that generates a.bxsf (XCrysDen Fermi surface format) from VASP outputs.

https://github.com/bkchang/vasp2x_fs

2. Fermi-Surface

VASP subtool to draw Fermi-Surface; creates input file for Xcrysden.

This scriptis to draw fermi surface based on first-principles calculation results. This takes standard VASP (The Vienna Ab initio simulation package) output files.

https://github.com/MTD-group/Fermi-Surface

3. vaspkit

A pre- and post-processing program for the VASP code.

https://sourceforge.net/projects/vaspkit/



其他的关于费米面的后处理:

4. Firmi

Get a firm grasp on your Fermi surface.

Software utility to prepare calculated Fermi surface of metal for 3D printing.

https://github.com/dstrubbe/Firmi

5. FermiSurface-Elk-to-Vesta

A small Python script that takes a Fermi surface file from an Elk calculation ("FERMISURF.OUT") and converts it to a format that can be viewed using Vesta.

https://github.com/dvdwllc/FermiSurface-Elk-to-Vesta

6. FS_Plot

Fermi Surface Plotting using Mayavi.

https://github.com/aaronsutton/FS_Plot

7. Fermi_surface

直接生成倒空间k点并提取VASP EIGENVAL文件计算费米面的脚本.

http://blog.sciencenet.cn/home.php?mod=space&uid=1502061&do=blog&id=1093325



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