Force Orthogonalization After Convergence (Y/N) - CAESAR II - Help

CAESAR II Users Guide

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English
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CAESAR II
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CAESAR II Version
12

Specifies whether CAESAR II forces orthogonalization after eigenpair convergence. Select Y (for yes) or N (for no).

Select Y for eigensolutions when % of Iterations Per Shift Before Orthogonalization is set to a non-zero value. When a subspace pass completes and sees at least one eigenpair convergence, a Gram-Schmidt orthogonalization is performed even if the specified percentage of iterations has not been completed.