error in volume optimization

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DibyaR Prakash

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Oct 25, 2013, 5:38:29 AM10/25/13
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Hello Exciting user

I am a beginner just trying to learn this code. I have tried some examples successfully but I am getting following error for the volume optimization . Which is an example for Ag. by giving th commant

#"CHECKFIT-energy-vs-volue.py"

Enter lattice symmetry code [default 0] >>>> 3
Verification lattice symmetry code      >>>> 3
Traceback (most recent call last):
  File "./CHECKFIT-energy-vs-volume.py", line 98, in <module>
    fitr = numpy.polyfit(strain,energy,order_of_fit)
  File "/usr/lib64/python2.6/site-packages/numpy/lib/polynomial.py", line 466, in polyfit
    raise TypeError, "expected non-empty vector for x"
TypeError: expected non-empty vector for x


Please suggest me some solutions.


With regards 
Rai
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