ypp error

[wangj]

Dear Developers,

Recently, I used version 5.0.0 to calculate the energy of the exciton at finite momentum q. The error occurred when I tryed

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ypp -e s -b 2

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[ERROR] STOP signal received while in[06] Excitonic Properties @ Q-index #2
[ERROR] ndb.BS_diago not found

Then I checked my SAVE/ file. I found that all formats are the same as q2 except q1

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ndb.BS_diago_Q1
ndb.BS_diago_Q2_ares
ndb.BS_diago_Q2_res
ndb.BS_diago_Q3_ares
ndb.BS_diago_Q3_res

So, I want to know the difference between 'ndb.BS_diago_Q2_res' and 'ndb.BS_diago_Q3_ares' and how to solve this error. Could you please help me?

Thank you so much!

Best
wangj

[Daniele Varsano]

Dear wangj,

please sign your post with your name and affiliation, this is a rule of the forum. you can do once for all by filling your signature in the use profile.
Here there are two issues: first you should update the code version, please download the latest release of the code (5.0.1). In your version you have the BS matrix separated in two different files (resonant and anti resonant) and this is not suitable. This has been changed in the latest release.

Next, the correct syntax to inspect finite q exciton is:

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ypp -excitons s -BSiq 2

or is a shorter form:

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ypp -e s -b 2

Best,

Daniele