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ERROR:ndb.BSS_diago not found

Posted: Fri May 22, 2020 2:30 am
by Dean
Dear all,
I am doing a BSE calculation with the inversion solver, and got the output file ndb.BSS_diago.
When I want to analyze the exciton property with ypp -e , it crashed with the message "ERROR:ndb.BSS_diago not found"?
So, I have to do the BSE calculation with the diagonalization solver so that I can get ndb.BSS_diago and analyze the exciton property with ypp -e?
Thanks in advance.

Re: ERROR:ndb.BSS_diago not found

Posted: Fri May 22, 2020 7:44 am
by Palummo Maurizia
Dear Yimin

the only way to have the excitonic eigenvalues/eigenvectors is to use the solver diago "d" or "s" (slepc)
with inversion and haydock you have access directly to the spectrum

Maurizia

Re: ERROR:ndb.BSS_diago not found

Posted: Mon May 25, 2020 2:56 am
by Dean
Dear Maurizia,
Thanks for your reply.