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exercises:2017_uzh_cmest:band [2017/10/17 11:11] jglanexercises:2017_uzh_cmest:band [2020/08/21 10:15] (current) – external edit 127.0.0.1
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-======= Getting the band structure of WO_3 Lattice =======+======= Getting the band structure of WO$_3$ Lattice =======
  
-In this exercise, you will carry out band structure calculation using K-point sampling for Cubic lattice WO3. The reference band structure you can find in [[http://pubs.acs.org/doi/abs/10.1021/cm3032225|this paper]]+In this exercise, you will carry out band structure calculation using K-point sampling for Cubic lattice WO$_3$. The reference band structure you can find in [[http://pubs.acs.org/doi/abs/10.1021/cm3032225|this paper]]
  
 {{:exercises:2017_uzh_cmest:wo3.jpeg?1200|}} {{:exercises:2017_uzh_cmest:wo3.jpeg?1200|}}
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   * The ''SPECIAL_POINT'' keyword is used to specify the start-, mid- and endpoints of the line. Those points usually denote special points in the reciprocal lattice/unit cell, like the $\Gamma$, $M$ or $K$ point. You can find the definition for these in the appendix section of [[http://www.sciencedirect.com/science/article/pii/S0927025610002697|this paper]]. This keyword can also be specified multiple times, making it possible to directly get the band structure for a complete //path//.   * The ''SPECIAL_POINT'' keyword is used to specify the start-, mid- and endpoints of the line. Those points usually denote special points in the reciprocal lattice/unit cell, like the $\Gamma$, $M$ or $K$ point. You can find the definition for these in the appendix section of [[http://www.sciencedirect.com/science/article/pii/S0927025610002697|this paper]]. This keyword can also be specified multiple times, making it possible to directly get the band structure for a complete //path//.
  
-Now, when you run this input file you will get in addition the the output file, a file named ''graphene.bs'' which will look similar to the following:+Now, when you run this input file you will get in addition the the output file, a file named ''WO3.bs'' which will look similar to the following:
  
 <code> <code>
exercises/2017_uzh_cmest/band.1508238665.txt.gz · Last modified: 2020/08/21 10:15 (external edit)