Python openfile Examples

Example #1

	def __init__(self):
		self.lines = openfile("KPOINTS")
		self.head()
		self.getdata()

Example #2

 def __init__(self):
     self.lines = openfile("PROCAR")
     self.head()
     self.getdata()

Example #3

#!/usr/bin/python

from file.openfile import openfile

lines = openfile("CONTCAR")
natoms = sum([int(e) for e in lines[6].split()])
print "TOTAL ATOM NUMBER: ", natoms

lines = openfile("OSZICAR")
for line in lines:
	item = line.split()
	if item[1]=="F=":
		energy = float(item[4])
print "TOTAL ENERGY: ", energy

print "ENERGY PER ATOM: ", energy/natoms

Example #4

 def __init__(self):
     self.lines = openfile("EIGENVAL")
     self.head()
     self.getdata()