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