The whole BSE has zero dimension !

[burkzdemir]

Dear developers,

I am trying to run BSE calculation however I am getting the following error. FIles can be found in the following link.

https://drive.google.com/file/d/1BtoM3Q ... sp=sharing

[03] Bethe Salpeter Equation @q1
================================


[WARNING] Null BSE kernel block dimension(s) found.

[ERROR] STOP signal received while in[03] Bethe Salpeter Equation @q1

[ERROR] The whole BSE has zero dimension !

[Daniele Varsano]

Dear Burak,

in your system you have 58 filled bands:

Code: Select all

 [K+QP] Filled Bands                               :   58
 [K+QP] Empty Bands                                :   59  200

and you asking for a BSE matrix containing no empty bands so it results in zero electron-hole pairs:

Code: Select all

% BSEBands
   21 | 53 |                         # [BSK] Bands range
%

You need at least one empty band to build the BSE matrix.

Best,
Daniele

[burkzdemir]

Dear Daniele,

Thank you for your answer! I changed the pseudopotential and I forgot to change the number of filled and empty bands. I am sorry for this simple question!

Best,
Burak