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[ÇóÖú] ÇóÖú Bi2Te3ÎÄÏ×Öеĸ߶ԳƵãÔõô¸úK×ø±ê¶ÔÓ¦ ÒÑÓÐ1È˲ÎÓë

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Bi6 Te9                                 
   1.00000000000000     
     4.4603391999879696    0.0000000000000001    0.0000000000000000
    -2.2301695999939848    3.8627675227781029   -0.0000000000000000
     0.0000000000000000   -0.0000000000000001   29.6185139418847747
   Bi   Te
     6     9
Direct
  0.6666669999999968  0.3333330000000032  0.0377565501980208
  0.0000000000000000 -0.0000000000000000  0.2955764498019825
  0.3333330000000032  0.6666669999999968  0.3710905501980214
  0.6666669999999968  0.3333330000000032  0.6289094498019786
  0.0000000000000000  0.0000000000000000  0.7044235501980175
  0.3333330000000032  0.6666669999999968  0.9622434498019793
  0.6666669999999968  0.3333330000000032  0.2345438072203661
  0.3333330000000032  0.6666669999999968  0.1666669999999968
  0.0000000000000000  0.0000000000000000  0.0987891927796300
  0.3333330000000032  0.6666669999999968  0.5678778072203668
-0.0000000000000000 -0.0000000000000000  0.5000000000000000
  0.6666669999999968  0.3333330000000032  0.4321221927796332
-0.0000000000000000  0.0000000000000000  0.9012108072203701
  0.6666669999999968  0.3333330000000032  0.8333330000000032
  0.3333330000000032  0.6666669999999968  0.7654561927796338

ÎÒÏë¸úÕâÆªÎÄÏ׵ĶÔÓ¦£ºhttps://chemgroups.northwestern. ... 3_BandStructure.pdf
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rlafite

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
You can use VASPKIT
https://vaspkit.com/tutorials.html

If you have the cif file for the crystal, you can generate your K-path on
https://www.materialscloud.org/work/tools/seekpath
2Â¥2025-06-19 02:26:23
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