CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:common:bs

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:common:bs [2022/09/22 22:15] – jglanexercises:common:bs [2022/09/22 22:16] – jglan
Line 181: Line 181:
 gnuplot>plot for [i=4:23] "WO3.bs.set-1.csv" u 0:i w l t "" gnuplot>plot for [i=4:23] "WO3.bs.set-1.csv" u 0:i w l t ""
  </code>  </code>
-<file python cp2k_bs2csv.py>+<file python plt_band.py>
 import numpy as np import numpy as np
 import matplotlib.pyplot as plt import matplotlib.pyplot as plt
  
-file=np.genfromtxt('band.txt')+file=np.genfromtxt('WO3.bs')
  
-bs = open ('band.txt','r')+bs = open ('WO3.bs','r')
 line = bs.readline().split() line = bs.readline().split()
 num_points, num_k_points, num_bands = int(line[3]),int(line[6]),int(line[8]) num_points, num_k_points, num_bands = int(line[3]),int(line[6]),int(line[8])
exercises/common/bs.txt · Last modified: 2023/01/17 20:39 by jglan