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--- exercises:2017_uzh_cmest:band [2017/10/17 11:08] – jglan
+++ exercises:2017_uzh_cmest:band [2017/10/17 11:11] – jglan
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-======= Getting the band structure of graphene =======
+======= 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]]
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   * How many orbital energies do you get and why? Try to change the input to get more unoccupied orbitals.
-To convert the band structure file to a file which can be plotted directly, you can use the script ''cp2k_bs2csv.py'' from below, which when passed a band structure file ''WO3.bs'' as an argument will write files ''WO3.bs-setN.csv'' for each set containing the K-Point coordinates and the energies in one line.
+To convert the band structure file to a file which can be plotted directly, you can use the script ''cp2k_bs2csv.py'' from below, which when passed a band structure file ''WO3.bs'' as an argument will write files ''WO3.bs-set-1.csv'' for each set containing the K-Point coordinates and the energies in one line.
-To plot the ''WO3.bs-setN.csv'' file, you can either load it into $MATLAB$ or use $GNUPLOT$ command line.
+To plot the ''WO3.bs-set-1.csv'' file, you can either load it into $MATLAB$ or use $GNUPLOT$ command line.
 <code>gnuplot>set yrange [-8:14]
 gnuplot>plot for [i=4:23] "WO3.bs.set-1.csv" u 0:i w l t ""