Yambo Community Forum

Posted: **Wed Apr 15, 2015 6:59 am**

Dear Users,

I would like to apply a scissor operator to correct the band gap of Silicon, but I don't know if yambo code has that ability or not. I'm just wondering if any one here knows how to use a scissor operator in yambo.

Best,
Reza

Posted: **Wed Apr 15, 2015 12:20 pm**

Dear Reza,

The variable to be set is:

Code: Select all

%KfnQP_E				
0.000000|1.000000|1.000000|		#	(EXTQP)(BSK)(BSS)	E parameters (c/v) eV|adim|adim
%

The first number is the scissor values, the other two are meant if you want also insert a stretching of the valence and conduction bands.
If you want just the scissor you leave them to 1. 00.
I assume that you want to apply it in the BSE framework, otherwise the variable name in RPA response is XfnQP_E, with the same usage.
Please note that the scissor it is used in the tutorials, I invite to have a look.
Best,
Daniele

Yambo Community Forum

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