[ase-users] Jacapo Error IOError: [Errno 2]

[Rohan Dhall]

Hi,
    I am trying to run a basic band structure calculation script on Jacapo
and I keep getting the included error. I saw a thread talking about a
similar problem online, but there seemed to be no solution. If anyone knows
how I can fix this, please let me know.

Traceback (most recent call last):
  File "graphene2.py", line 48, in <module>
    energy = graphene.get_potential_energy()
  File "/usr/local/lib/python2.7/dist-packages/ase/atoms.py", line 494, in
get_potential_energy
    return self.calc.get_potential_energy(self)
  File
"/usr/local/lib/python2.7/dist-packages/ase/calculators/jacapo/jacapo.py",
line 2180, in get_potential_energy
    self.calculate()
  File
"/usr/local/lib/python2.7/dist-packages/ase/calculators/jacapo/jacapo.py",
line 2661, in calculate
    f = open(txt, 'r')
IOError: [Errno 2] No such file or directory: 'graphene2.txt'
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