On Wed, 28 Nov 2007, Xiaoyang Huang wrote: > The second question is about using anistropic dielectric constant. I > wanted to see the band structures of complex epslion material. I want to > set off-diagonal epsilon a complex number. I have configured > "--with-hermitian-eps". But i got error as shown in the output file > (petra.out) attached here. Also attached is the comp-eps.ctl file.
Complex epsilon matrices are allowed, but they must be hermitian and positive definite -- the epsilon you have supplied violates this condition (it has a negative eigenvalue). Regards, Steven G. Johnson _______________________________________________ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
