ypp error after BSE
Posted: Tue Jan 30, 2024 10:22 am
Dear developers,
I got an error of ypp (v.5.2.1)when I sort the exciton as > ypp -e s -b 1 -J GW. The error is:
...
<---> [05] CORE Variables Setup
<---> [05.01] Unit cells
<---> [05.02] Symmetries
<---> [05.03] Reciprocal space
<---> [05.04] K-grid lattice
<---> Grid dimensions : 32 32
<---> [05.05] Energies & Occupations
<---> [06] Excitonic Properties @ Q-index #1
<---> [WARNING] Error reading SEC1 in ndb.BSS_diago, this can be due to the missing ndb.dipoles or ndb.ems1
<---> [WARNING] BSE databases not found.
<---> [07] Timing Overview
<---> [08] Memory Overview
<---> [09] Game Over & Game summary
...
My BSE calculation is normal and the absorption is also normal. I have ndb.dipoles and ndb.BS_diago since the absorption is normal.
I have searched the error and found an error like SEC, and it is not the case as mine.
Thanks!
Shudong
I got an error of ypp (v.5.2.1)when I sort the exciton as > ypp -e s -b 1 -J GW. The error is:
...
<---> [05] CORE Variables Setup
<---> [05.01] Unit cells
<---> [05.02] Symmetries
<---> [05.03] Reciprocal space
<---> [05.04] K-grid lattice
<---> Grid dimensions : 32 32
<---> [05.05] Energies & Occupations
<---> [06] Excitonic Properties @ Q-index #1
<---> [WARNING] Error reading SEC1 in ndb.BSS_diago, this can be due to the missing ndb.dipoles or ndb.ems1
<---> [WARNING] BSE databases not found.
<---> [07] Timing Overview
<---> [08] Memory Overview
<---> [09] Game Over & Game summary
...
My BSE calculation is normal and the absorption is also normal. I have ndb.dipoles and ndb.BS_diago since the absorption is normal.
I have searched the error and found an error like SEC, and it is not the case as mine.
Thanks!
Shudong