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[ERROR]EMPTY WF index

Posted: Thu Jun 25, 2020 9:48 am
by plasmon
Dear Developers,

When running the convergence test for Gbnd (148->158), it fails with the error message of
[ERROR] STOP signal received while in :[07.01] G0W0 (W PPA)
[ERROR]EMPTY WF index @ b:151 k:1 spin:1 ID:0

Could you please tell me how to fix this problem?Thank you!

Best,
Hao

Re: [ERROR]EMPTY WF index

Posted: Thu Jun 25, 2020 10:15 am
by Daniele Varsano
Dear Hao,
you have computed 150 bands:

Code: Select all

[RD./SAVE//ns.db1]------------------------------------------
  Bands                           : 150
in nscf.in

Code: Select all

  ecutwfc = 40,nbnd = 150
If you want to use more bands you need to calculate them with quantum espresso first and redo the p2y and setup steps.

Best,
Daniele