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dfy50

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
9Â¥: Originally posted by first_yg at 2011-08-26 16:50:11:
bandµÄKPOINT

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. ...

Â¥Ö÷  Õâ¸öÎÊÌâ½â¾öÁËô  ÎÒÒ²Óöµ½ÕâÑùµÄÎÊÌâ ÆÚ´ýÖ¸µ¼
11Â¥2011-12-11 09:54:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lintonlin332

ľ³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
9Â¥: Originally posted by first_yg at 2011-08-26 16:50:11
bandµÄKPOINT

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 bandµÄKPOINT?? 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.
12Â¥2015-03-20 00:49:09
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