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quanshengwu / wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:
http://www.wanniertools.org
GNU General Public License v3.0
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KPLANE_BULK, SURFACE, KPLANE_SLAB #22

Closed alisufyan15 closed 6 years ago

alisufyan15 commented 6 years ago

Hi i am learning wanniertools and the worst thing is that i am also not expert in DFT (actually i switch from particle physics to condensed matter). i have got some idea about waniertools but i have totally failed to understand KPLANE_BULK, SURFACE and KPLANE_SLAB cards. How to define their values? i have read wanniertools documentation but still, i am not able to understand it. can you please describe in simplest way how one can define these cards for different systems? i will be very thankful to you.

quanshengwu commented 6 years ago

Please check the new version of online documentation: http://www.wanniertools.com/input.html#kpathslab

I put some figures to illustrate those three cards. I hope it would help you.