Commit d138a835 authored by Eric Hermes's avatar Eric Hermes

Fix M-V energy 'extrapolation'

parent e1f8e012
......@@ -661,7 +661,9 @@ class MarzariVanderbilt(SmoothDistribution):
return np.array([n, dnde, n * sign, e_entropy])
def extrapolate_energy_to_zero_width(self, E):
return E - self.e_entropy
# According to Nicola Marzari, one should not extrapolate M-V energies
# https://lists.quantum-espresso.org/pipermail/users/2005-October/003170.html
return E
class FixedOccupations(ZeroKelvin):
......
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