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7.18 pw.x yields 'internal error: cannot braket Ef' message in efermit but does not stop

This may happen under special circumstances when you are calculating the band structure for selected high-symmetry lines. The message signals that occupations and Fermi energy are not correct (but eigenvalues and eigenvectors are). Remove occupations='tetrahedra' in the input data to get rid of the message.



Paolo Giannozzi 2009-10-01