Errors in BSE calculation with QP correction

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jasonhan0710
Posts: 58
Joined: Wed Dec 23, 2020 6:48 am
Location: China

Errors in BSE calculation with QP correction

Post by jasonhan0710 » Thu Jun 24, 2021 3:29 am

Dear all,

I did a BSE calculation with quasi-particle correction with both Yambo 4.5 and 5.0. Yambo-4.5 ran BSE successful, however, Yambo-5.0 stoped at reading Quasi-particle database without an error information. The report file as follows,

Code: Select all

 E<./GW/ndb.QP[ XG 925 = Xb 20-80]

 [dE_from_DB-Nearest K] Exact matches       :  100.0000 [o/o]


 [QP_apply] Action to be applied: E<./GW/ndb.QP[ XG 925 = Xb 20-80]

  [04.01]  QP corrections report
  ==============================
and the log file,

Code: Select all

 <04s> P1-c26.hpc: [04] External/Internal QP corrections
 <04s> P1-c26.hpc: E<./GW/ndb.QP[ XG 925 = Xb 20-80]
 <04s> P1-c26.hpc: [dE_from_DB-Nearest K] Exact matches       :  100.0000 [o/o]
 <04s> P1-c26.hpc: [QP_apply] Action to be applied: E<./GW/ndb.QP[ XG 925 = Xb 20-80]
The same error happened when I did the RPA calculation with a quasi-particle correction. But the RPA calculation succeed without the QP correction. Is there anyone knowing the reason? Would you please help me figure it out? Thank you!

Best regards,
Jason
Jason Han

Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China

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