ypp -e a

[WEI Wei]

Dear All,

What is the probable reason for that it does not give the information about the interband transitions in the file of o.exc_weight_at_1? It just show something like:
------------------------------------------------------------------------------------------
... ...
... ...

Electron-Hole pairs that contributes to Excitonic State 1 more than 5%
#
# K-point [iku] Weight
# 0.000000 0.000000 0.000000 0.266542
# 0.05556 0.11111 0.00000 1.00000
# 0.111111 0.222222 0.000000 0.837016
# ... ...
... ...
... ...
# Band_V Band_C K ibz Symm. Weight Energy
#
#
# YPP@ulmix01 x 001 CPUs * 01/18/2012 17:14 [start]
# 01/18/2012 17:15 [end]
#
# Cpu Timing [Min/Max/Average]: 16s/16s/16s
#
# .-Input file : ypp.in
# | excitons # [R] Excitons
# | amplitude # [R] Amplitude
# | States= "1 - 1" # Index of the BS state(s)
# | Degen_Step= 0.0100 eV # Maximum energy separation of two degenerate states
----------------------------------------------------------------------------------------------------------------
But when I run the examples in the tutorial, it definitely gives the tansitions between the VB and the CB.

Many thanks in advance!

[myrta gruning]

Hallo Wei

did you print the excitonic wavefunctions in the BS jobs?
The excitonic wavefunctions that you need to extract the weight info's etc. are not printed by default. You need to generate the yambo input using the -V resp verbosity and uncommenting the WRbsWF variable. See http://www.yambo-code.org/doc/inputs/in ... -diago.php
Note that this is possible only using exact diagonalization option.

Best
m

[WEI Wei]

Dear Myrta,

Thank you very much for your reply!
But the variable of "WRbsWF" was presented in the calculations, and I also can the electron distribution.

I have one more question: what does the data exactly mean in the file of o.exc_amplitude_at_1? particularly, when state 1 is a "dark" exciton.
... ...
... ...

E [eV] Amplitude
#
3.5557 0.0071
3.5586 0.0072
3.5615 0.0072
3.5645 0.0073
3.5674 0.0074
3.5703 0.0074
3.5732 0.0075
3.5761 0.0076
3.5790 0.0076
... ...
... ...

Many thanks!