User Tools

Site Tools


exercises:2017_uzh_cmest:band

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
Last revisionBoth sides next revision
exercises:2017_uzh_cmest:band [2017/10/17 11:11] jglanexercises:2017_uzh_cmest:band [2017/10/17 11:12] jglan
Line 1: Line 1:
-======= 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|}}
Line 119: Line 119:
   * 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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1