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9.1.4 Efficient single band eigenvalue-minimization

 

A very efficient scheme for the calculation of the lowest eigenvalues, might be obtained by increasing the basis set mentioned in the previous section in each iteration step, i.e.: At the step N solve the eigenvalue problem

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with the basis set

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The lowest eigenvector of the eigenvalue problem is used to calculate a new (possibly preconditioned) search vector tex2html_wrap_inline4879 .



MASTER USER VASP
Mon Mar 29 10:38:29 MEST 1999