I used SLEPC solver for the BSE and tried to compute the exciton composition of bulk Si in terms of one-body Kohn-Sham states using ypp. Ypp returned an error as following:
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[ERROR] STOP signal received while in[06] Excitonic Properties @ Q-index #1
[ERROR] ndb.BS_diago not found
The input that I used for ypp to obtain the exciton composition is as follows:
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excitons # [R] Excitonic properties
amplitude # [R] Amplitude
States= "1 - 2" # Index of the BS state(s)
BSQindex= 1 # Q-Index of the BS state(s)
#DipWeight # Weight the contribution to the exciton WFs with the dipoles
Degen_Step= 0.010000 eV # Maximum energy separation of two degenerate states
Please suggest ways to get around the error for ypp in case of SLEPC approach.
Thank you very much in advance!
Kind regards,
Aseem