[Pw_forum] about phonon by grid

Ezad Shojaee ezadshojaee at hotmail.com
Tue Sep 18 12:44:28 CEST 2007


Hi
when i calculate the IFC's by a (2 2 2) grid, and also (3 3 3) the dispersion curve seems to be reasonable and also converging; but when i try (4 4 4) grid, it comes with a lot of huge negative figures! what may be the problem?
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