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dfy50

新虫 (小有名气)

引用回帖:
9楼: Originally posted by first_yg at 2011-08-26 16:50:11:
band的KPOINT

kpoints for bandstructure  G-M2-K2-M1-G-K1-M1
41
line
reciprocal
  0.000000000000000  0.000000000000000  0.000000000000000    1 ! G
  0.500000000000000  0.500000000000000  0. ...

楼主  这个问题解决了么  我也遇到这样的问题 期待指导
11楼2011-12-11 09:54:52
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lintonlin332

木虫 (初入文坛)

引用回帖:
9楼: Originally posted by first_yg at 2011-08-26 16:50:11
band的KPOINT

kpoints for bandstructure  G-M2-K2-M1-G-K1-M1
41
line
reciprocal
  0.000000000000000  0.000000000000000  0.000000000000000    1 ! G
  0.500000000000000  0.500000000000000  0.00 ...

Dear  first_yg:

Would I ask you how to do this one for band的KPOINT?? If I have the different molecular, I do not know how to set up for my kpoint.

Would you please site the paper or reference to me?

Thank you so much.
12楼2015-03-20 00:49:09
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