Yambo Community Forum

Posted: **Thu Jan 06, 2022 4:25 pm**

Dear all,
I know from http://www.yambo-code.org/wiki/index.ph ... rial:_h-BN
that the LongDrXp is set to be a non-specific value: LongDrXp=(1,1,1).

Now, my question is when we should set the LongDrXp to be a non-specific value: LongDrXp=(1,1,1).
I have noticed a related post, viewtopic.php?f=13&t=1588&p=10530&hilit=LongDrXp#p10530
but I am still puzzled.
For example, if I want to calculate the GW band structure for a two-dimensional system (highly anisotropic), how to set LongDrXp?

Best regards.

Posted: **Thu Jan 06, 2022 5:30 pm**

Dear Youzhao,

in general, the choice (1,1,1) provides a good estimation of a proper average with respect to the three cartesian directions.
For a 2D system lying in the xy plane (1,1,0) is a good choice.

Best,

Daniele

Posted: **Fri Jan 07, 2022 1:02 am**

Dear Daniele,
Great thanks for your help.

Best regards.

Yambo Community Forum

Question about setting LongDrXp to be a non-specific value: LongDrXp=(1,1,1).

Question about setting LongDrXp to be a non-specific value: LongDrXp=(1,1,1).

Re: Question about setting LongDrXp to be a non-specific value: LongDrXp=(1,1,1).

Re: Question about setting LongDrXp to be a non-specific value: LongDrXp=(1,1,1).