mirror of https://github.com/phonopy/phonopy.git
Avoid divided by zero
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a51e365630
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@ -574,6 +574,16 @@ class ImagSelfEnergy:
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self._frequencies,
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grid_address,
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bz_map)
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# for i, g in enumerate(self._g):
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# if np.isnan(g).any():
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# for j, g2 in enumerate(g):
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# if np.isnan(g2).any():
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# for k, g3 in enumerate(g2):
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# if np.isnan(g3).any():
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# print self._frequencies[self._triplets_at_q[i]]
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# print i, j, k, g3
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def _set_triplets_integration_weights_py(self, thm, grid_address, bz_map):
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tetrahedra_vertices = get_tetrahedra_vertices(thm.get_tetrahedra(),
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@ -350,16 +350,18 @@ get_integration_weight(const double omega,
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if (omega < v[0]) {
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sum += IJ(0, ci, omega, v) * gn(0, omega, v);
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} else {
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if (omega < v[1]) {
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if (v[0] < omega && omega < v[1]) {
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sum += IJ(1, ci, omega, v) * gn(1, omega, v);
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} else {
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if (omega < v[2]) {
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if (v[1] < omega && omega < v[2]) {
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sum += IJ(2, ci, omega, v) * gn(2, omega, v);
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} else {
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if (omega < v[3]) {
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if (v[2] < omega && omega < v[3]) {
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sum += IJ(3, ci, omega, v) * gn(3, omega, v);
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} else {
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sum += IJ(4, ci, omega, v) * gn(4, omega, v);
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if (v[3] < omega) {
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sum += IJ(4, ci, omega, v) * gn(4, omega, v);
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}
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}
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}
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}
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