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.
ERROR:ndb.BSS_diago not found
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Dean
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ERROR:ndb.BSS_diago not found
Dr. Yimin Ding
Soochow University, China.
Soochow University, China.
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Palummo Maurizia
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Re: ERROR:ndb.BSS_diago not found
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
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
Dipartimento di Fisica
Universita' 'Tor Vergata'
Via della Ricerca Scientifica I
tel.++39-06-72594894
fax.++39-06-2023507
http://www.fisica.uniroma2.it/~cmtheo-group/
ETSF European Theoretical Spectroscopy Facility www.etsf.eu
Universita' 'Tor Vergata'
Via della Ricerca Scientifica I
tel.++39-06-72594894
fax.++39-06-2023507
http://www.fisica.uniroma2.it/~cmtheo-group/
ETSF European Theoretical Spectroscopy Facility www.etsf.eu
-
Dean
- Posts: 109
- Joined: Thu Oct 10, 2019 7:03 am
Re: ERROR:ndb.BSS_diago not found
Dear Maurizia,
Thanks for your reply.
Thanks for your reply.
Dr. Yimin Ding
Soochow University, China.
Soochow University, China.