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jochym / qe-util

Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.
GNU General Public License v3.0
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Sub-optimal numerical expressions in QHA formulas #5

Open jochym opened 10 years ago

jochym commented 10 years ago

The formulas used in QHA use fast growing functions like exp()^2 or sinh() which easily lead to overflows and confusion. The formulas need to be transformed into more adequate and stable algebraic formulas.