OPTION

In dynamical matrix, upper triangle and lower triangle are sometimes different due to the error of force constants. OPTION gives how to treat dynamical matrix. When S is selected, upper triangle and lower triangle are simply averaged so that dynamical matrix becomes Hermite. When L is selected, dynamical matrix is diagonalized by using only lower triangle and the dynamical matrix is assumed Hermite. The upper triangle is copied from the conjugated lower triangle. When U is selected, the upper triangle is only used.
values
S, L, U
default
S
example
	OPTION = L


togo 2009-02-12
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