Commit 9af9e828 authored by Eric Hermes's avatar Eric Hermes

Fix M-V entropy

parent d138a835
......@@ -654,7 +654,8 @@ class MarzariVanderbilt(SmoothDistribution):
dnde = expterm * (2 + np.sqrt(2) * x) / np.sqrt(np.pi)
dnde = dnde.sum() * kpt.weight / self.width
s = expterm * (1 + np.sqrt(2) * x) / np.sqrt(np.pi)
s = expterm * (1 + np.sqrt(2) * x) / (2 * np.sqrt(np.pi))
e_entropy = -kpt.weight * s.sum() * self.width
sign = 1 - kpt.s * 2
......
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