The diagonalization

[WEI Wei]

Dear all,

I want to plot the excitonic wave-function with the calculation process as following:
(1) yambo -g n -p p
(2) yambo -b -o b -y h (with KfnQPdb= "E < ./SAVE/ndb.QP")
(3) yambo -b -o b -y h (changed BSSmod= "h" into BSSmod= "d", and variable of "WRbsWF" was added)
But, the calculation stoped at (3) with "<05s> BSK diagonaliza | | [000%] -- (E) -- (X)".
So, could you please tell me what mistakes I have made?
Many thanks in advance!

[Daniele Varsano]

Dear Wei Wei,
with the information you provided, it is hard to say what went wrong.
What is the dimension of your matrix?
Please check you memory requirements, and post report and input files.

Cheers,

Daniele

[WEI Wei]

Dear Daniele,

Thank you very much for your reply!
I am sorry, but can you tell me where I can find the information about the dimension of the matrix?

[Daniele Varsano]

Dear Wei Wei,
you can find such information in the report file, if it has been produced.
Anyway the matrix dimension is given by Nc x Nv x kpoints x nsymm
where Nc and Nv are the number of valence and conduction bands included
in the BSE calculation.

Cheers,
Daniele