I tried to analyze the 11th exciton(Q-index is 11 in BSEQptR) using 'ypp -e s 11'. And the SAVE/ folder has all the things we need, such as ndb.BS_diago_Q11,ndb.BS_head_Q11,ndb.BS_PAR_Q11... There are also similar files of the first exciton because i have calculated the first exciton and used 'ypp -e s 1' before. But when i using 'ypp -e s 11' to get the information of 11th exciton, it gives me the results of the first exciton!
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<---> [01] MPI/OPENMP structure, Files & I/O Directories
<---> MPI Cores-Threads : 1(CPU)-48(threads)
<---> [02] Y(ambo) P(ost)/(re) P(rocessor)
<---> [03] Core DB
<---> :: Electrons : 38.00000
<---> :: Temperature : 0.000000 [eV]
<---> :: Lattice factors : 7.95497 6.88921 37.79451 [a.u.]
<---> :: K points : 44
<---> :: Bands : 120
<---> :: Symmetries : 12
<---> :: RL vectors : 163821
<---> [04] K-point grid
<---> :: Q-points (IBZ): 44
<---> :: X K-points (IBZ): 44
<---> [05] CORE Variables Setup
<---> [05.01] Unit cells
<---> [05.02] Symmetries
<---> [05.03] Reciprocal space
<---> [05.04] K-grid lattice
<---> Grid dimensions : 20 20
<---> [05.05] Energies & Occupations
<---> [06] Excitonic Properties @ Q-index #1
<---> [07] Reporting sorted Energies and Strengths
<---> Sorting energies
<---> [08] Timing Overview
<---> [09] Memory Overview
<---> [10] Game Over & Game summary
Thanks in advance
Haozhe Li
PhD Candidate
Department of Physics
Fudan University
China