[Wien] off-diagonal dielectric tensor components from BSE

[pavel.ondracka at email.cz]

Dear Wien2k mailing list,

just wondering if it is possible to calculate also the off-diagonal tensor 
components with the BSE module (I'm specifically interested in the xz 
component for a monoclinic cell). No matter what I tried I can only get the 
diagonal xx, yy and zz components.

Did anyone noticed any scaling problems in DM? For me it scales roughly as n
_k x n_q x n_G^2 x n_val x n_cond however at some point when increasing k 
(and q)-mesh it just doesn't finish at all (at least not in the timeframe 
estimated from scaling at smaller system sizes). I did check that I'm not 
memory bound and random probe to few processes shows some idling in MPI_
wait, however  I was not able to investigate much further.

Best regards
Pavel Ondračka

P.S. I'm aware BSE code is not supported by developers, I am just hoping 
that some user has more experience than myself.

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