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| import numpy as np | |
| from scipy.special import erf | |
| def get_parameters(qeqfile): | |
| eV = 3.67493245e-2 | |
| Angstrom = 1./0.529177249 | |
| parameters = {} | |
| with open(qeqfile) as f: | |
| for i in range(13): | |
| next(f) |